1-chloro-4-(cyclopropyldifluoromethyl)benzene

• ChemBase ID: 66142
• Molecular Formular: C10H9ClF2
• Molecular Mass: 202.6282664
• Monoisotopic Mass: 202.03608441
• SMILES: c1(ccc(cc1)C(F)(F)C1CC1)Cl
• Canonical SMILES: FC(c1ccc(cc1)Cl)(C1CC1)F
• InChI: InChI=1S/C10H9ClF2/c11-9-5-3-8(4-6-9)10(12,13)7-1-2-7/h3-7H,1-2H2
• InChIKey: BQKJRSBRKWJRJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-(cyclopropyldifluoromethyl)benzene
• IUPAC Traditional name: 1-chloro-4-(cyclopropyldifluoromethyl)benzene
• Synonyms: 1-Chloro-4-(cyclopropyldifluoromethyl)benzene

Database IDs

• MDL Number: MFCD14525563
• PubChem SID: 162031881
• PubChem CID: 45790994

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.866912
• LogD (pH = 7.4): 3.866912
• Log P: 3.866912
• Molar Refractivity: 48.0516 cm^3
• Polarizability: 18.30514 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%