1,1,1,3,3,3-hexafluoropropan-2-amine

• ChemBase ID: 96934
• Molecular Formular: C3H3F6N
• Molecular Mass: 167.0530392
• Monoisotopic Mass: 167.01696842
• SMILES: NC(C(F)(F)F)C(F)(F)F
• Canonical SMILES: NC(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C3H3F6N/c4-2(5,6)1(10)3(7,8)9/h1H,10H2
• InChIKey: UHEDJBIYIWUMLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,3,3,3-hexafluoropropan-2-amine
• IUPAC Traditional name: 1,1,1,3,3,3-hexafluoropropan-2-amine
• Synonyms: 1,1,1,3,3,3-Hexafluoropropan-2-amine; 2-Amino-2H-hexafluoropropane; 2,2,2-Trifluoro-1-(trifluoromethyl)ethylamine 97%

Database IDs

• CAS Number: 1619-92-7
• MDL Number: MFCD08460498
• PubChem SID: 162083578
• PubChem CID: 12224667

CALCULATED PROPERTIES

• Acid pKa: 15.720659
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.344484
• LogD (pH = 7.4): 1.3445004
• Log P: 1.3445007
• Molar Refractivity: 20.4892 cm^3
• Polarizability: 7.6975994 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 57-58°C
• Density: 1.5442
• Refractive Index: 1.29

Safety Information

• Storage Warning: Corrosive/Flammable/Stench