1-chloro-2,2-difluoropropane

• ChemBase ID: 167459
• Molecular Formular: C3H5ClF2
• Molecular Mass: 114.5216064
• Monoisotopic Mass: 114.00478428
• SMILES: C(CCl)(F)(F)C
• Canonical SMILES: ClCC(F)(F)C
• InChI: InChI=1S/C3H5ClF2/c1-3(5,6)2-4/h2H2,1H3
• InChIKey: OOXYGJSMTMPTFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2,2-difluoropropane
• IUPAC Traditional name: 1-chloro-2,2-difluoropropane
• Synonyms: 1-Chloro-2,2-difluoropropane; (Chloromethyl)(difluoromethyl)methane; R 262ca; 2,2-Difluoropropyl Chloride

Database IDs

• CAS Number: 420-99-5
• PubChem SID: 162261592
• PubChem CID: 67896

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5504133
• LogD (pH = 7.4): 1.5504133
• Log P: 1.5504133
• Molar Refractivity: 20.8945 cm^3
• Polarizability: 7.8674035 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - D446150

Halogenated hydrocarbons with anesthetic potencies.

REFERENCES

• Bindal, M.C., et al.: Arzneim.-Forsch., 30, 234 (1980)