(4-fluorophenyl)(thiophen-2-yl)methanamine

• ChemBase ID: 249748
• Molecular Formular: C11H10FNS
• Molecular Mass: 207.2672032
• Monoisotopic Mass: 207.05179855
• SMILES: c1(sccc1)C(c1ccc(cc1)F)N
• Canonical SMILES: Fc1ccc(cc1)C(c1cccs1)N
• InChI: InChI=1S/C11H10FNS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7,11H,13H2
• InChIKey: BOGWHDQPKMAKPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(thiophen-2-yl)methanamine
• IUPAC Traditional name: (4-fluorophenyl)(thiophen-2-yl)methanamine
• Synonyms: (4-fluorophenyl)(thien-2-yl)methylamine

Database IDs

• MDL Number: MFCD07323330
• PubChem SID: 164305658
• PubChem CID: 4962648

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.24187708
• LogD (pH = 7.4): 1.8429625
• Log P: 2.9388378
• Molar Refractivity: 55.9205 cm^3
• Polarizability: 21.58741 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 2.231

Product Information

• Purity: 95%