5,5,5-trifluoropentan-1-amine

• ChemBase ID: 242603
• Molecular Formular: C5H10F3N
• Molecular Mass: 141.1348096
• Monoisotopic Mass: 141.07653399
• SMILES: C(F)(F)(F)CCCCN
• Canonical SMILES: NCCCCC(F)(F)F
• InChI: InChI=1S/C5H10F3N/c6-5(7,8)3-1-2-4-9/h1-4,9H2
• InChIKey: YXJKYHJIINJMFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5,5-trifluoropentan-1-amine
• IUPAC Traditional name: 5,5,5-trifluoropentan-1-amine
• Synonyms: 5,5,5-trifluoropentan-1-amine

Database IDs

• MDL Number: MFCD08449015
• PubChem SID: 164298513
• PubChem CID: 14952374

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6908145
• LogD (pH = 7.4): -1.2709405
• Log P: 1.3331704
• Molar Refractivity: 29.1767 cm^3
• Polarizability: 10.893443 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.816

Product Information

• Purity: 95%