Metabolite 2-chloro-1,1-difluoroethene
- Name
- 2-chloro-1,1-difluoroethene
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- QGF1P560AW
- CAS number
- Not Available
- Weight
- Average: 98.48
Monoisotopic: 97.9734841 - Chemical Formula
- C2HClF2
- InChI Key
- HTHNTJCVPNKCPZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C2HClF2/c3-1-2(4)5/h1H
- IUPAC Name
- 2-chloro-1,1-difluoroethene
- SMILES
- FC(F)=CCl
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 121.52864 predictedDeepCCS 1.0 (2019) [M+H]+ 124.32553 predictedDeepCCS 1.0 (2019) [M+Na]+ 132.68639 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 9283
- ZINC
- ZINC000040135789
- Predicted Properties
Property Value Source Water Solubility 1.42 mg/mL ALOGPS logP 1.7 ALOGPS logP 1.6 Chemaxon logS -1.8 ALOGPS Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 25.91 m3·mol-1 Chemaxon Polarizability 5.75 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon