2-fluoro-1-phenylethan-1-amine

• ChemBase ID: 280099
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: c1(C(N)CF)ccccc1
• Canonical SMILES: FCC(c1ccccc1)N
• InChI: InChI=1S/C8H10FN/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6,10H2
• InChIKey: KSWGCLOZHMSHGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-1-phenylethan-1-amine
• IUPAC Traditional name: 2-fluoro-1-phenylethanamine
• Synonyms: 2-fluoro-1-phenylethanamine

Database IDs

• MDL Number: MFCD09040683
• PubChem SID: 180665630
• PubChem CID: 16228741

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3445737
• LogD (pH = 7.4): 0.2513061
• Log P: 1.3597711
• Molar Refractivity: 38.8018 cm^3
• Polarizability: 15.209311 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.126

Product Information

• Purity: 95%