1,3-difluoroprop-1-ene

• ChemBase ID: 98530
• Molecular Formular: C3H4F2
• Molecular Mass: 78.0606664
• Monoisotopic Mass: 78.02810657
• SMILES: F/C=C/CF
• Canonical SMILES: FC/C=C/F
• InChI: InChI=1S/C3H4F2/c4-2-1-3-5/h1-2H,3H2
• InChIKey: INPRTAFPJCUIBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-difluoroprop-1-ene
• IUPAC Traditional name: 1,3-difluoroprop-1-ene
• Synonyms: 1,3-Difluoroprop-1-ene 97%

Database IDs

• CAS Number: 58777-28-9
• PubChem SID: 162084946
• PubChem CID: 18413637

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.95961934
• LogD (pH = 7.4): 0.95961934
• Log P: 0.95961934
• Molar Refractivity: 15.9451 cm^3
• Polarizability: 5.6286273 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable

DETAILS

Apollo Scientific Ltd - PC5737

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