3,3,3-trifluoropropan-1-amine

• ChemBase ID: 97475
• Molecular Formular: C3H6F3N
• Molecular Mass: 113.0816496
• Monoisotopic Mass: 113.04523386
• SMILES: NCCC(F)(F)F
• Canonical SMILES: NCCC(F)(F)F
• InChI: InChI=1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
• InChIKey: NGZVNONVXYLYQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,3-trifluoropropan-1-amine
• IUPAC Traditional name: 3,3,3-trifluoropropan-1-amine
• Synonyms: 3,3,3-trifluoropropan-1-amine; 1-Amino-3,3,3-trifluoropropane; 3,3,3-Trifluoropropylamine 97%; 3,3,3-TRIFLUOROPROPYLAMINE

Database IDs

• CAS Number: 460-39-9
• MDL Number: MFCD01694854
• PubChem SID: 162084082
• PubChem CID: 10001

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.8006818
• LogD (pH = 7.4): -2.0688345
• Log P: 0.38699517
• Molar Refractivity: 19.8207 cm^3
• Polarizability: 7.390742 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.197

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%; 98%