4-(1-aminoethyl)-2-fluorophenol

• ChemBase ID: 308530
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: c1(cc(ccc1O)C(N)C)F
• Canonical SMILES: CC(c1ccc(c(c1)F)O)N
• InChI: InChI=1S/C8H10FNO/c1-5(10)6-2-3-8(11)7(9)4-6/h2-5,11H,10H2,1H3
• InChIKey: VWURQMSCABRCTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-aminoethyl)-2-fluorophenol
• IUPAC Traditional name: 4-(1-aminoethyl)-2-fluorophenol
• Synonyms: 4-(1-aminoethyl)-2-fluorophenol

Database IDs

• CAS Number: 1030444-42-8
• MDL Number: MFCD11213729

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5403231
• LogD (pH = 7.4): -0.25146195
• Log P: 0.47932068
• Molar Refractivity: 41.1475 cm^3
• Polarizability: 15.804283 Å^3
• Polar Surface Area: 46.25 Å^2