1-(trifluoromethyl)cyclobutan-1-ol

• ChemBase ID: 236629
• Molecular Formular: C5H7F3O
• Molecular Mass: 140.1036896
• Monoisotopic Mass: 140.0448995
• SMILES: C(C1(O)CCC1)(F)(F)F
• Canonical SMILES: FC(C1(O)CCC1)(F)F
• InChI: InChI=1S/C5H7F3O/c6-5(7,8)4(9)2-1-3-4/h9H,1-3H2
• InChIKey: LAVGIFVKTRAAKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trifluoromethyl)cyclobutan-1-ol
• IUPAC Traditional name: 1-(trifluoromethyl)cyclobutan-1-ol
• Synonyms: 1-(trifluoromethyl)cyclobutan-1-ol

Database IDs

• MDL Number: MFCD16067944
• PubChem SID: 164292539
• PubChem CID: 57445156

CALCULATED PROPERTIES

• Acid pKa: 11.291622
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2704204
• LogD (pH = 7.4): 1.2703654
• Log P: 1.270421
• Molar Refractivity: 25.4132 cm^3
• Polarizability: 9.489687 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.842

Product Information

• Purity: 95%