1,1-difluorohex-1-ene

• ChemBase ID: 98476
• Molecular Formular: C6H10F2
• Molecular Mass: 120.1404064
• Monoisotopic Mass: 120.07505676
• SMILES: FC(=CCCCC)F
• Canonical SMILES: CCCCC=C(F)F
• InChI: InChI=1S/C6H10F2/c1-2-3-4-5-6(7)8/h5H,2-4H2,1H3
• InChIKey: OABXUFVTRAEJRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-difluorohex-1-ene
• IUPAC Traditional name: 1,1-difluorohex-1-ene
• Synonyms: 1,1-Difluorohex-1-ene

Database IDs

• PubChem SID: 162105128
• PubChem CID: 10510844

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0062997
• LogD (pH = 7.4): 3.0062997
• Log P: 3.0062997
• Molar Refractivity: 40.5819 cm^3
• Polarizability: 11.019782 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant