1-chloro-1,3,3,3-tetrafluoroprop-1-ene

• ChemBase ID: 95164
• Molecular Formular: C3HClF4
• Molecular Mass: 148.4866528
• Monoisotopic Mass: 147.97029059
• SMILES: F/C(=C/C(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
• InChIKey: PNWJILFKWURCIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,3,3,3-tetrafluoroprop-1-ene
• IUPAC Traditional name: 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: MFCD04038277
• PubChem SID: 162081814
• PubChem CID: 5709600

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: 19-20°C

Safety Information

• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - PC3034

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