1-fluoro-2-methylpropan-2-amine hydrochloride

• ChemBase ID: 99857
• Molecular Formular: C4H11ClFN
• Molecular Mass: 127.5882432
• Monoisotopic Mass: 127.05640526
• SMILES: FCC(C)(C)N.Cl
• Canonical SMILES: FCC(N)(C)C.Cl
• InChI: InChI=1S/C4H10FN.ClH/c1-4(2,6)3-5;/h3,6H2,1-2H3;1H
• InChIKey: DNWOOOHUCRNQRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-2-methylpropan-2-amine hydrochloride
• IUPAC Traditional name: 1-fluoro-2-methylpropan-2-amine hydrochloride
• Synonyms: 1-Fluoro-2-methylpropan-2-amine hydrochloride; 1,1-Dimethyl-2-fluoroethylamine hydrochloride

Database IDs

• CAS Number: 112433-51-9
• MDL Number: MFCD07779327
• PubChem SID: 162086104
• PubChem CID: 13935251

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6998017
• LogD (pH = 7.4): -1.6541433
• Log P: 0.27268258
• Molar Refractivity: 23.576 cm^3
• Polarizability: 9.326524 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant