{1-[3-(trifluoromethyl)phenyl]cyclopropyl}methanol

• ChemBase ID: 806844
• Molecular Formular: C11H11F3O
• Molecular Mass: 216.1996496
• Monoisotopic Mass: 216.07619963
• SMILES: C(O)C1(CC1)c1cc(ccc1)C(F)(F)F
• Canonical SMILES: OCC1(CC1)c1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C11H11F3O/c12-11(13,14)9-3-1-2-8(6-9)10(7-15)4-5-10/h1-3,6,15H,4-5,7H2
• InChIKey: PFNGEYYMNCLHHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[3-(trifluoromethyl)phenyl]cyclopropyl}methanol
• IUPAC Traditional name: {1-[3-(trifluoromethyl)phenyl]cyclopropyl}methanol
• Synonyms: [1-(3-TRIFLUOROMETHYL-PHENYL)-CYCLOPROPYL]-METHANOL

Database IDs

• CAS Number: 886366-41-2

CALCULATED PROPERTIES

• Acid pKa: 14.999884
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6516535
• LogD (pH = 7.4): 2.6516535
• Log P: 2.6516535
• Molar Refractivity: 50.6701 cm^3
• Polarizability: 18.628647 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%