2-(4-fluorophenyl)thiophene

• ChemBase ID: 288827
• Molecular Formular: C10H7FS
• Molecular Mass: 178.2259832
• Monoisotopic Mass: 178.02524944
• SMILES: Fc1ccc(c2cccs2)cc1
• Canonical SMILES: Fc1ccc(cc1)c1cccs1
• InChI: InChI=1S/C10H7FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
• InChIKey: PURJRGMZIKXDMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)thiophene
• IUPAC Traditional name: 2-(4-fluorophenyl)thiophene
• Synonyms: 2-(4-Fluorophenyl)thiophene

Database IDs

• CAS Number: 58861-48-6
• PubChem SID: 180674358
• PubChem CID: 21894783

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.540321
• LogD (pH = 7.4): 3.540321
• Log P: 3.540321
• Molar Refractivity: 48.3005 cm^3
• Polarizability: 19.576765 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%; 98%