1-(cyclopropyldifluoromethyl)-4-fluorobenzene

• ChemBase ID: 66096
• Molecular Formular: C10H9F3
• Molecular Mass: 186.1736696
• Monoisotopic Mass: 186.06563495
• SMILES: c1(ccc(cc1)F)C(F)(F)C1CC1
• Canonical SMILES: FC(c1ccc(cc1)F)(C1CC1)F
• InChI: InChI=1S/C10H9F3/c11-9-5-3-8(4-6-9)10(12,13)7-1-2-7/h3-7H,1-2H2
• InChIKey: ANDRDMBZTIJWGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropyldifluoromethyl)-4-fluorobenzene
• IUPAC Traditional name: 1-(cyclopropyldifluoromethyl)-4-fluorobenzene
• Synonyms: 1-(Cyclopropyldifluoromethyl)-4-fluorobenzene

Database IDs

• MDL Number: MFCD14525556
• PubChem SID: 162031835
• PubChem CID: 45790988

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4055693
• LogD (pH = 7.4): 3.4055693
• Log P: 3.4055693
• Molar Refractivity: 43.4632 cm^3
• Polarizability: 16.15477 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%