NAV

Pentafluoropropane

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Pentafluoropropane
DrugBank Accession Number
DB13117
Background

Pentafluoropropane is under investigation in clinical trial NCT01673061 (Vapocoolant Spray for Numbing Small Boils Before Incision and Drainage).

Type
Small Molecule
Groups
Approved, Investigational
Structure
3D
Similar Structures
Weight
Average: 134.049
Monoisotopic: 134.015490912
Chemical Formula
C3H3F5
Synonyms
  • 1,1,1,3,3-pentafluoropropane
External IDs
  • HFC 245A
  • HFC-245A
  • HFC245A
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
Kingdom
Organic compounds
Super Class
Organohalogen compounds
Class
Organofluorides
Sub Class
Not Available
Direct Parent
Organofluorides
Alternative Parents
Hydrofluorocarbons / Hydrocarbon derivatives / Alkyl fluorides
Substituents
Aliphatic acyclic compound / Alkyl fluoride / Alkyl halide / Hydrocarbon derivative / Hydrofluorocarbon / Organofluoride
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
TA9UOF49CY
CAS number
460-73-1
InChI Key
MSSNHSVIGIHOJA-UHFFFAOYSA-N
InChI
InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2
IUPAC Name
1,1,1,3,3-pentafluoropropane
SMILES
FC(F)CC(F)(F)F

References

General References
Not Available
PubChem Compound
68030
PubChem Substance
347829240
ChemSpider
61345
RxNav
1591891
ZINC
ZINC000001847395
Wikipedia
Pentafluoropropane

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4TerminatedTreatmentAbscesses1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility13.4 mg/mLALOGPS
logP1.52ALOGPS
logP1.49Chemaxon
logS-1ALOGPS
Physiological Charge0Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity16.43 m3·mol-1Chemaxon
Polarizability6.85 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-8b26402b489f96e2738e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0900000000-82a32fc366fcf302315a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014r-0900000000-18d6f38e4ed0e89ff959
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-0900000000-765b0871a93328590ae1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kb-9400000000-4bb7aa9c2c83c54f085d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0900000000-a9477f01c135fec180b8
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-128.01419
predicted
DeepCCS 1.0 (2019)
[M+H]+130.1086
predicted
DeepCCS 1.0 (2019)
[M+Na]+138.59923
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 03:20 / Updated at June 12, 2020 16:53