2-amino-1-(trifluoromethyl)cyclopentan-1-ol

• ChemBase ID: 277697
• Molecular Formular: C6H10F3NO
• Molecular Mass: 169.1449096
• Monoisotopic Mass: 169.07144861
• SMILES: C1(C(F)(F)F)(C(N)CCC1)O
• Canonical SMILES: NC1CCCC1(O)C(F)(F)F
• InChI: InChI=1S/C6H10F3NO/c7-6(8,9)5(11)3-1-2-4(5)10/h4,11H,1-3,10H2
• InChIKey: ZHXSHNYEYNFGGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(trifluoromethyl)cyclopentan-1-ol
• IUPAC Traditional name: 2-amino-1-(trifluoromethyl)cyclopentan-1-ol
• Synonyms: 2-amino-1-(trifluoromethyl)cyclopentan-1-ol

Database IDs

• MDL Number: MFCD19686501
• PubChem SID: 164333607
• PubChem CID: 54594716

CALCULATED PROPERTIES

• Acid pKa: 9.33095
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4680445
• LogD (pH = 7.4): -1.6561375
• Log P: 0.10348729
• Molar Refractivity: 33.0332 cm^3
• Polarizability: 12.738544 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.591

Product Information

• Purity: 95%