1,1,3-trifluoroprop-1-ene

• ChemBase ID: 98863
• Molecular Formular: C3H3F3
• Molecular Mass: 96.0511296
• Monoisotopic Mass: 96.01868476
• SMILES: FC(=CCF)F
• Canonical SMILES: FCC=C(F)F
• InChI: InChI=1S/C3H3F3/c4-2-1-3(5)6/h1H,2H2
• InChIKey: URZZGOOCQOQVOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58777-31-4
• PubChem SID: 162085210
• PubChem CID: 22956412

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2829144
• LogD (pH = 7.4): 1.2829144
• Log P: 1.2829144
• Molar Refractivity: 26.8615 cm^3
• Polarizability: 5.6650605 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Extremely Flammable/Irritant