3-chloro-1,1-difluoroprop-1-ene

• ChemBase ID: 98869
• Molecular Formular: C3H3ClF2
• Molecular Mass: 112.5057264
• Monoisotopic Mass: 111.98913422
• SMILES: ClCC=C(F)F
• Canonical SMILES: ClCC=C(F)F
• InChI: InChI=1S/C3H3ClF2/c4-2-1-3(5)6/h1H,2H2
• InChIKey: DHOJPULKJOMHDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-1,1-difluoroprop-1-ene
• IUPAC Traditional name: 3-chloro-1,1-difluoroprop-1-ene
• Synonyms: 1242zc; 3-Chloro-1,1-difluoroprop-1-ene

Database IDs

• PubChem SID: 162105189
• PubChem CID: 45933721

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7464145
• LogD (pH = 7.4): 1.7464145
• Log P: 1.7464145
• Molar Refractivity: 31.6046 cm^3
• Polarizability: 7.6218123 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Irritant