1,1,2-trifluoropent-1-ene

• ChemBase ID: 93630
• Molecular Formular: C5H7F3
• Molecular Mass: 124.1042896
• Monoisotopic Mass: 124.04998488
• SMILES: FC(=C(CCC)F)F
• Canonical SMILES: CCCC(=C(F)F)F
• InChI: InChI=1S/C5H7F3/c1-2-3-4(6)5(7)8/h2-3H2,1H3
• InChIKey: LTTCXEDGGUZBNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-trifluoropent-1-ene
• IUPAC Traditional name: 1,1,2-trifluoropent-1-ene
• Synonyms: 1,1,2-Trifluoropent-1-ene

Database IDs

• MDL Number: MFCD00156071
• PubChem SID: 162080315
• PubChem CID: 2782638

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1812441
• LogD (pH = 7.4): 2.1812441
• Log P: 2.1812441
• Molar Refractivity: 36.2627 cm^3
• Polarizability: 9.144587 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant