1,1-difluorohept-1-ene

• ChemBase ID: 98477
• Molecular Formular: C7H12F2
• Molecular Mass: 134.1669864
• Monoisotopic Mass: 134.09070682
• SMILES: FC(=CCCCCC)F
• Canonical SMILES: CCCCCC=C(F)F
• InChI: InChI=1S/C7H12F2/c1-2-3-4-5-6-7(8)9/h6H,2-5H2,1H3
• InChIKey: CHOOIXAAVMMENN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-difluorohept-1-ene
• IUPAC Traditional name: 1,1-difluorohept-1-ene
• Synonyms: 1,1-Difluorohept-1-ene

Database IDs

• PubChem SID: 162105152
• PubChem CID: 45933674

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4508684
• LogD (pH = 7.4): 3.4508684
• Log P: 3.4508684
• Molar Refractivity: 45.1829 cm^3
• Polarizability: 12.836269 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant