1,1-difluoroprop-1-ene

• ChemBase ID: 98473
• Molecular Formular: C3H4F2
• Molecular Mass: 78.0606664
• Monoisotopic Mass: 78.02810657
• SMILES: FC(=CC)F
• Canonical SMILES: CC=C(F)F
• InChI: InChI=1S/C3H4F2/c1-2-3(4)5/h2H,1H3
• InChIKey: YHLIEGBCOUQKHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-difluoroprop-1-ene
• IUPAC Traditional name: 1,1-difluoroprop-1-ene
• Synonyms: 1,1-Difluoroprop-1-ene

Database IDs

• PubChem SID: 162105127
• PubChem CID: 521131

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6725938
• LogD (pH = 7.4): 1.6725938
• Log P: 1.6725938
• Molar Refractivity: 26.7789 cm^3
• Polarizability: 5.6436214 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Irritant