1,3,3-trifluoroprop-1-ene

• ChemBase ID: 98864
• Molecular Formular: C3H3F3
• Molecular Mass: 96.0511296
• Monoisotopic Mass: 96.01868476
• SMILES: FC(/C=C/F)F
• Canonical SMILES: F/C=C/C(F)F
• InChI: InChI=1S/C3H3F3/c4-2-1-3(5)6/h1-3H
• InChIKey: FFTOUVYEKNGDCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,3-trifluoroprop-1-ene
• IUPAC Traditional name: 1,3,3-trifluoroprop-1-ene
• Synonyms: 1243ze; 1,3,3-Trifluoroprop-1-ene

Database IDs

• PubChem SID: 162105187
• PubChem CID: 6365375

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2249653
• LogD (pH = 7.4): 1.2249653
• Log P: 1.2249653
• Molar Refractivity: 15.9053 cm^3
• Polarizability: 5.657064 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Irritant

DETAILS

Apollo Scientific Ltd - PC6240

Mixture of E/Z isomers