1-(trifluoromethyl)cyclopentan-1-amine

• ChemBase ID: 282267
• Molecular Formular: C6H10F3N
• Molecular Mass: 153.1455096
• Monoisotopic Mass: 153.07653399
• SMILES: C(C1(N)CCCC1)(F)(F)F
• Canonical SMILES: FC(C1(N)CCCC1)(F)F
• InChI: InChI=1S/C6H10F3N/c7-6(8,9)5(10)3-1-2-4-5/h1-4,10H2
• InChIKey: MPDSDDJKOGFRGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trifluoromethyl)cyclopentan-1-amine
• IUPAC Traditional name: 1-(trifluoromethyl)cyclopentan-1-amine
• Synonyms: 1-(trifluoromethyl)cyclopentanamine

Database IDs

• MDL Number: MFCD11847132
• PubChem SID: 180667798
• PubChem CID: 50989632

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1095687
• LogD (pH = 7.4): 1.5964777
• Log P: 1.6081079
• Molar Refractivity: 31.6717 cm^3
• Polarizability: 11.997668 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.501

Product Information

• Purity: 95%