1-cyclopropyl-2,2,2-trifluoroethan-1-ol

• ChemBase ID: 284101
• Molecular Formular: C5H7F3O
• Molecular Mass: 140.1036896
• Monoisotopic Mass: 140.0448995
• SMILES: C(C(C1CC1)O)(F)(F)F
• Canonical SMILES: OC(C(F)(F)F)C1CC1
• InChI: InChI=1S/C5H7F3O/c6-5(7,8)4(9)3-1-2-3/h3-4,9H,1-2H2
• InChIKey: PQHMFPNCDSFTAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-2,2,2-trifluoroethan-1-ol
• IUPAC Traditional name: 1-cyclopropyl-2,2,2-trifluoroethanol
• Synonyms: 1-cyclopropyl-2,2,2-trifluoroethan-1-ol

Database IDs

• MDL Number: MFCD16067959
• PubChem SID: 180669632
• PubChem CID: 15709643

CALCULATED PROPERTIES

• Acid pKa: 11.263864
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2768627
• LogD (pH = 7.4): 1.2768042
• Log P: 1.2768635
• Molar Refractivity: 25.3236 cm^3
• Polarizability: 9.489622 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.782

Product Information

• Purity: 95%