4-chloro-1,1,2-trifluorobut-1-ene

• ChemBase ID: 11883
• Molecular Formular: C4H4ClF3
• Molecular Mass: 144.5227696
• Monoisotopic Mass: 143.99536247
• SMILES: C(=C(CCCl)F)(F)F
• Canonical SMILES: ClCCC(=C(F)F)F
• InChI: InChI=1S/C4H4ClF3/c5-2-1-3(6)4(7)8/h1-2H2
• InChIKey: RRHUKZXPIZGLJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1,1,2-trifluorobut-1-ene
• IUPAC Traditional name: 4-chloro-1,1,2-trifluorobut-1-ene
• Synonyms: 4-Chloro-1,1,2-trifluoro-1-butene; 4-Chloro-1,1,2-trifluorobut-1-ene

Database IDs

• CAS Number: 378-81-4
• MDL Number: MFCD00077488
• PubChem SID: 160975190
• PubChem CID: 2783400

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5817946
• LogD (pH = 7.4): 1.5817946
• Log P: 1.5817946
• Molar Refractivity: 36.5978 cm^3
• Polarizability: 9.375434 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 90%