(2-heptylcyclopentylidene)amino 2-(2-fluorophenyl)acetate

• ChemBase ID: 95427
• Molecular Formular: C20H28FNO2
• Molecular Mass: 333.4402232
• Monoisotopic Mass: 333.21040736
• SMILES: N(=C\1/C(CCC1)CCCCCCC)\OC(=O)Cc1c(cccc1)F
• Canonical SMILES: CCCCCCCC1CCC/C/1=N\OC(=O)Cc1ccccc1F
• InChI: InChI=1S/C20H28FNO2/c1-2-3-4-5-6-10-16-12-9-14-19(16)22-24-20(23)15-17-11-7-8-13-18(17)21/h7-8,11,13,16H,2-6,9-10,12,14-15H2,1H3
• InChIKey: JQUHFWHRJZMUHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-heptylcyclopentylidene)amino 2-(2-fluorophenyl)acetate
• IUPAC Traditional name: (2-heptylcyclopentylidene)amino 2-(2-fluorophenyl)acetate
• Synonyms: 1-[2-({[2-(2-fluorophenyl)acetyl]oxy}imino)cyclopentyl]heptane

Database IDs

• MDL Number: MFCD09998094
• PubChem SID: 162082076
• PubChem CID: 5709121

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.3833957
• LogD (pH = 7.4): 6.3834376
• Log P: 6.3834386
• Molar Refractivity: 93.7384 cm^3
• Polarizability: 36.521694 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false