4-ethyl-3-fluoroaniline

• ChemBase ID: 242663
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: c1(cc(N)ccc1CC)F
• Canonical SMILES: CCc1ccc(cc1F)N
• InChI: InChI=1S/C8H10FN/c1-2-6-3-4-7(10)5-8(6)9/h3-5H,2,10H2,1H3
• InChIKey: SSHTYWFFOIFINB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-3-fluoroaniline
• IUPAC Traditional name: 4-ethyl-3-fluoroaniline
• Synonyms: 4-ethyl-3-fluoroaniline

Database IDs

• MDL Number: MFCD19205834
• PubChem SID: 164298573
• PubChem CID: 55281682

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2366292
• LogD (pH = 7.4): 2.2449052
• Log P: 2.2450118
• Molar Refractivity: 40.617 cm^3
• Polarizability: 14.727238 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.366

Product Information

• Purity: 95%