2-[(4-fluorophenyl)methyl]thiophene

• ChemBase ID: 100797
• Molecular Formular: C11H9FS
• Molecular Mass: 192.2525632
• Monoisotopic Mass: 192.04089951
• SMILES: s1cccc1Cc1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)Cc1cccs1
• InChI: InChI=1S/C11H9FS/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h1-7H,8H2
• InChIKey: YBIBLJMBFUFDOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-fluorophenyl)methyl]thiophene
• IUPAC Traditional name: 2-[(4-fluorophenyl)methyl]thiophene
• Synonyms: 2-(4-Fluorobenzyl)thiophene

Database IDs

• CAS Number: 63877-96-3
• MDL Number: MFCD00800241
• PubChem SID: 162087075
• PubChem CID: 10583905

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.120623
• LogD (pH = 7.4): 4.120623
• Log P: 4.120623
• Molar Refractivity: 53.0555 cm^3
• Polarizability: 19.984594 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true