2,2-difluoropropane

• ChemBase ID: 9381
• Molecular Formular: C3H6F2
• Molecular Mass: 80.0765464
• Monoisotopic Mass: 80.04375663
• SMILES: CC(C)(F)F
• Canonical SMILES: CC(F)(F)C
• InChI: InChI=1S/C3H6F2/c1-3(2,4)5/h1-2H3
• InChIKey: YZXSQDNPKVBDOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoropropane
• IUPAC Traditional name: propane, 2,2-difluoro-
• Synonyms: 2,2-Difluoropropane 97%; 2,2-Difluoropropane

Database IDs

• CAS Number: 420-45-1
• MDL Number: MFCD00039267
• PubChem SID: 160972688
• PubChem CID: 67895

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8996792
• LogD (pH = 7.4): 0.8996792
• Log P: 0.8996792
• Molar Refractivity: 16.4654 cm^3
• Polarizability: 5.888153 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -1°C
• Density: 0.92

Safety Information

• Storage Warning: Flammable; GAS, FLAMMABLE
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC2877E

Cylinder - 1/4" NPT connection