2,2,3,3,3-pentafluoropropan-1-amine hydrochloride

• ChemBase ID: 6758
• Molecular Formular: C3H5ClF5N
• Molecular Mass: 185.523516
• Monoisotopic Mass: 185.00306795
• SMILES: C(N)C(C(F)(F)F)(F)F.Cl
• Canonical SMILES: NCC(C(F)(F)F)(F)F.Cl
• InChI: InChI=1S/C3H4F5N.ClH/c4-2(5,1-9)3(6,7)8;/h1,9H2;1H
• InChIKey: MBDLWFISOWMXMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,3-pentafluoropropan-1-amine hydrochloride
• IUPAC Traditional name: 2,2,3,3,3-pentafluoropropan-1-amine hydrochloride
• Synonyms: 2,2,3,3,3-Pentafluoropropylamine hydrochloride; 2,2,3,3,3-Pentafluoropropylamine hydrochloride 97%

Database IDs

• CAS Number: 374-14-1
• MDL Number: MFCD00054747
• PubChem SID: 160970065
• PubChem CID: 25210507

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.73717237
• LogD (pH = 7.4): 0.7836145
• Log P: 1.0302801
• Molar Refractivity: 20.0369 cm^3
• Polarizability: 7.556239 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful; IRRITANT-HARMFUL
• TSCA Listed: false

Product Information

• Purity: 97%