3-fluorothiophene

• ChemBase ID: 117767
• Molecular Formular: C4H3FS
• Molecular Mass: 102.1300232
• Monoisotopic Mass: 101.99394932
• SMILES: c1(ccsc1)F
• Canonical SMILES: Fc1cscc1
• InChI: InChI=1S/C4H3FS/c5-4-1-2-6-3-4/h1-3H
• InChIKey: WPAQIMRFMFRJTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluorothiophene
• IUPAC Traditional name: 3-fluorothiophene
• Synonyms: 3-fluorothiophene

Database IDs

• CAS Number: 3093-88-7
• MDL Number: MFCD08275189
• PubChem SID: 162102765
• PubChem CID: 10975421

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8963897
• LogD (pH = 7.4): 1.8963897
• Log P: 1.8963897
• Molar Refractivity: 23.3802 cm^3
• Polarizability: 8.728612 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.953

Product Information

• Purity: 95+%