2-chloro-1-(difluoromethyl)-4-fluorobenzene

• ChemBase ID: 32929
• Molecular Formular: C7H4ClF3
• Molecular Mass: 180.5548696
• Monoisotopic Mass: 179.99536247
• SMILES: c1(c(cc(cc1)F)Cl)C(F)F
• Canonical SMILES: Fc1ccc(c(c1)Cl)C(F)F
• InChI: InChI=1S/C7H4ClF3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,7H
• InChIKey: PFBUYSAQGBJZMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1-(difluoromethyl)-4-fluorobenzene
• IUPAC Traditional name: 2-chloro-1-(difluoromethyl)-4-fluorobenzene
• Synonyms: 2-Chloro-1-(difluoromethyl)-4-fluorobenzene

Database IDs

• MDL Number: MFCD06657966
• PubChem SID: 160996236
• PubChem CID: 2761184

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1090803
• LogD (pH = 7.4): 3.1090803
• Log P: 3.1090803
• Molar Refractivity: 36.1632 cm^3
• Polarizability: 13.460317 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: false

Product Information

• Purity: 97%