1-[4-(trifluoromethyl)phenyl]cyclopropan-1-ol

• ChemBase ID: 245562
• Molecular Formular: C10H9F3O
• Molecular Mass: 202.1730696
• Monoisotopic Mass: 202.06054957
• SMILES: C1(CC1)(c1ccc(C(F)(F)F)cc1)O
• Canonical SMILES: FC(c1ccc(cc1)C1(O)CC1)(F)F
• InChI: InChI=1S/C10H9F3O/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-6-9/h1-4,14H,5-6H2
• InChIKey: RDYHPHDZQVPQRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(trifluoromethyl)phenyl]cyclopropan-1-ol
• IUPAC Traditional name: 1-[4-(trifluoromethyl)phenyl]cyclopropan-1-ol
• Synonyms: 1-[4-(trifluoromethyl)phenyl]cyclopropan-1-ol

Database IDs

• MDL Number: MFCD16840769
• PubChem SID: 164301472
• PubChem CID: 62669138

CALCULATED PROPERTIES

• Acid pKa: 14.339635
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4730778
• LogD (pH = 7.4): 2.4730778
• Log P: 2.4730778
• Molar Refractivity: 45.9484 cm^3
• Polarizability: 16.892889 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.331

Product Information

• Purity: 95%