3-chloro-2-fluoroprop-1-ene

• ChemBase ID: 7176
• Molecular Formular: C3H4ClF
• Molecular Mass: 94.5152632
• Monoisotopic Mass: 93.99855603
• SMILES: C(=C)(CCl)F
• Canonical SMILES: FC(=C)CCl
• InChI: InChI=1S/C3H4ClF/c1-3(5)2-4/h1-2H2
• InChIKey: OOFDLUQVLPGWMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-fluoroprop-1-ene
• IUPAC Traditional name: propene, 3-chloro-2-fluoro-
• Synonyms: 3-Chloro-2-fluoroprop-1-ene; 3-Chloro-2-fluoroprop-1-ene 97%

Database IDs

• CAS Number: 6186-91-0
• MDL Number: MFCD01696350
• PubChem SID: 160970483
• PubChem CID: 80320

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.342685
• LogD (pH = 7.4): 1.342685
• Log P: 1.342685
• Molar Refractivity: 20.6028 cm^3
• Polarizability: 7.6609793 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 55°C

Safety Information

• Storage Warning: FLAMMABLE; Flammable
• TSCA Listed: false

Product Information

• Purity: 97%