[1-(trifluoromethyl)cyclopropyl]methanol

• ChemBase ID: 277563
• Molecular Formular: C5H7F3O
• Molecular Mass: 140.1036896
• Monoisotopic Mass: 140.0448995
• SMILES: C1(C(F)(F)F)(CC1)CO
• Canonical SMILES: OCC1(CC1)C(F)(F)F
• InChI: InChI=1S/C5H7F3O/c6-5(7,8)4(3-9)1-2-4/h9H,1-3H2
• InChIKey: YYWSKSKIJXVNTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(trifluoromethyl)cyclopropyl]methanol
• IUPAC Traditional name: [1-(trifluoromethyl)cyclopropyl]methanol
• Synonyms: [1-(trifluoromethyl)cyclopropyl]methanol

Database IDs

• MDL Number: MFCD16990760
• PubChem SID: 164333473
• PubChem CID: 50990661

CALCULATED PROPERTIES

• Acid pKa: 14.829591
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0044281
• LogD (pH = 7.4): 1.0044281
• Log P: 1.0044281
• Molar Refractivity: 25.5339 cm^3
• Polarizability: 9.489113 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.352

Product Information

• Purity: 95%