1,2,3-trifluoroprop-1-ene

• ChemBase ID: 98866
• Molecular Formular: C3H3F3
• Molecular Mass: 96.0511296
• Monoisotopic Mass: 96.01868476
• SMILES: F/C=C(/CF)\F
• Canonical SMILES: FC/C(=C/F)/F
• InChI: InChI=1S/C3H3F3/c4-1-3(6)2-5/h1H,2H2
• InChIKey: TXHNVFGQJAAUNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-trifluoroprop-1-ene
• IUPAC Traditional name: 1,2,3-trifluoroprop-1-ene
• Synonyms: 1243ye; 1,2,3-Trifluoroprop-1-ene

Database IDs

• PubChem SID: 162105188
• PubChem CID: 45933719

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.73503965
• LogD (pH = 7.4): 0.73503965
• Log P: 0.73503965
• Molar Refractivity: 16.0729 cm^3
• Polarizability: 5.659366 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 - PC6245

Mixture of E/Z isomers