1,1-difluoropropan-2-amine hydrochloride

• ChemBase ID: 234892
• Molecular Formular: C3H8ClF2N
• Molecular Mass: 131.5521264
• Monoisotopic Mass: 131.03133338
• SMILES: C(C(N)C)(F)F.Cl
• Canonical SMILES: CC(C(F)F)N.Cl
• InChI: InChI=1S/C3H7F2N.ClH/c1-2(6)3(4)5;/h2-3H,6H2,1H3;1H
• InChIKey: XCDBHLMHUYKGAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-difluoropropan-2-amine hydrochloride
• IUPAC Traditional name: 1,1-difluoropropan-2-amine hydrochloride
• Synonyms: 1,1-difluoropropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD22056334
• PubChem SID: 164290802
• PubChem CID: 71755386

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9465225
• LogD (pH = 7.4): -0.266541
• Log P: 0.2574519
• Molar Refractivity: 18.898 cm^3
• Polarizability: 7.3909335 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.22

Product Information

• Purity: 95%