1,1-difluoropent-1-ene

• ChemBase ID: 98474
• Molecular Formular: C5H8F2
• Molecular Mass: 106.1138264
• Monoisotopic Mass: 106.0594067
• SMILES: FC(=CCCC)F
• Canonical SMILES: CCCC=C(F)F
• InChI: InChI=1S/C5H8F2/c1-2-3-4-5(6)7/h4H,2-3H2,1H3
• InChIKey: TVMVISNVWGBUGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-difluoropent-1-ene
• IUPAC Traditional name: 1,1-difluoropent-1-ene
• Synonyms: 1,1-Difluoropent-1-ene

Database IDs

• PubChem SID: 162105167
• PubChem CID: 13087753

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.561731
• LogD (pH = 7.4): 2.561731
• Log P: 2.561731
• Molar Refractivity: 35.9809 cm^3
• Polarizability: 9.212024 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant