hydrogen 2-fluoroethan-1-amine chloride

• ChemBase ID: 294279
• Molecular Formular: C2H6ClFN-
• Molecular Mass: 98.5271432
• Monoisotopic Mass: 98.0172801
• SMILES: C(F)CN.[Cl-]
• Canonical SMILES: NCCF.[Cl-]
• InChI: InChI=1S/C2H6FN.ClH/c3-1-2-4;/h1-2,4H2;1H/p-1
• InChIKey: YRRZGBOZBIVMJT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 2-fluoroethan-1-amine chloride
• IUPAC Traditional name: hydrogen 2-fluoroethanamine chloride
• Synonyms: 2-Fluoroethanamine hydrochloride

Database IDs

• CAS Number: 460-08-2
• MDL Number: MFCD00008161
• PubChem SID: 180679810
• PubChem CID: 19069418

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.293215
• LogD (pH = 7.4): -1.8969549
• Log P: -0.4244691
• Molar Refractivity: 14.519 cm^3
• Polarizability: 5.687982 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%