3-(2-fluoroethoxy)aniline

• ChemBase ID: 238197
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: c1c(N)cccc1OCCF
• Canonical SMILES: FCCOc1cccc(c1)N
• InChI: InChI=1S/C8H10FNO/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5,10H2
• InChIKey: UAUAFXPJXPBWQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluoroethoxy)aniline
• IUPAC Traditional name: 3-(2-fluoroethoxy)aniline
• Synonyms: 3-(2-fluoroethoxy)aniline

Database IDs

• MDL Number: MFCD20710976
• PubChem SID: 164294107
• PubChem CID: 15058634

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1781191
• LogD (pH = 7.4): 1.1875172
• Log P: 1.1876384
• Molar Refractivity: 41.8218 cm^3
• Polarizability: 15.534502 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 33 - 35°C
• Hydrophobicity(logP): 1.256

Product Information

• Purity: 95%