1-bromo-1,3,3,3-tetrafluoroprop-1-ene

• ChemBase ID: 98826
• Molecular Formular: C3HBrF4
• Molecular Mass: 192.9376528
• Monoisotopic Mass: 191.91977491
• SMILES: FC(F)(F)/C=C(/F)\Br
• Canonical SMILES: F/C(=C/C(F)(F)F)/Br
• InChI: InChI=1S/C3HBrF4/c4-2(5)1-3(6,7)8/h1H
• InChIKey: FVPSNVVHINDDKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-1,3,3,3-tetrafluoroprop-1-ene
• IUPAC Traditional name: 1-bromo-1,3,3,3-tetrafluoroprop-1-ene
• Synonyms: 1-Bromo-1,3,3,3-tetrafluoroprop-1-ene

Database IDs

• MDL Number: MFCD08461617
• PubChem SID: 162085186
• PubChem CID: 23236226

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.474663
• LogD (pH = 7.4): 2.474663
• Log P: 2.474663
• Molar Refractivity: 34.9453 cm^3
• Polarizability: 9.04613 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant