(E)-(methyl N-(4-fluorophenyl)carboximidate)

• ChemBase ID: 117038
• Molecular Formular: C8H8FNO
• Molecular Mass: 153.1536232
• Monoisotopic Mass: 153.0589921
• SMILES: N(=C\OC)/c1ccc(F)cc1
• Canonical SMILES: CO/C=N/c1ccc(cc1)F
• InChI: InChI=1S/C8H8FNO/c1-11-6-10-8-4-2-7(9)3-5-8/h2-6H,1H3/b10-6+
• InChIKey: QBPRSVYEYXRRSH-UXBLZVDNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-(methyl N-(4-fluorophenyl)carboximidate)
• IUPAC Traditional name: (E)-(methyl N-(4-fluorophenyl)carboximidate)
• Synonyms: methyl (4-fluorophenyl)imidoformate

Database IDs

• MDL Number: MFCD21091982
• PubChem SID: 162102376
• PubChem CID: 52903780

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.145215
• LogD (pH = 7.4): 2.1452432
• Log P: 2.1452434
• Molar Refractivity: 42.1532 cm^3
• Polarizability: 15.087154 Å^3
• Polar Surface Area: 21.59 Å^2

PROPERTIES

Physical Property

• Partition Coefficient: 2.02

Product Information

• Purity: 95%