(1E)-1-chloro-1,3,3,3-tetrafluoroprop-1-ene

• ChemBase ID: 15257
• Molecular Formular: C3HClF4
• Molecular Mass: 148.4866528
• Monoisotopic Mass: 147.97029059
• SMILES: C(=C\C(F)(F)F)(\F)/Cl
• Canonical SMILES: F/C(=C\C(F)(F)F)/Cl
• InChI: InChI=1S/C3HClF4/c4-2(5)1-3(6,7)8/h1H/b2-1-
• InChIKey: PNWJILFKWURCIR-UPHRSURJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1E)-1-chloro-1,3,3,3-tetrafluoroprop-1-ene
• IUPAC Traditional name: (1E)-1-chloro-1,3,3,3-tetrafluoroprop-1-ene
• Synonyms: 1-Chloro-1,3,3,3-tetrafluoropropene

Database IDs

• CAS Number: 460-71-9
• MDL Number: MFCD04038011
• PubChem SID: 160978564
• PubChem CID: 6508916

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3246102
• LogD (pH = 7.4): 2.3246102
• Log P: 2.3246102
• Molar Refractivity: 32.3464 cm^3
• Polarizability: 7.7557583 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 19°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%