[2-fluoro-4-(thiophen-2-yl)phenyl]methanamine

• ChemBase ID: 281470
• Molecular Formular: C11H10FNS
• Molecular Mass: 207.2672032
• Monoisotopic Mass: 207.05179855
• SMILES: c1(c2cc(c(cc2)CN)F)sccc1
• Canonical SMILES: NCc1ccc(cc1F)c1cccs1
• InChI: InChI=1S/C11H10FNS/c12-10-6-8(3-4-9(10)7-13)11-2-1-5-14-11/h1-6H,7,13H2
• InChIKey: VOAXIXCWLWLIFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-fluoro-4-(thiophen-2-yl)phenyl]methanamine
• IUPAC Traditional name: [2-fluoro-4-(thiophen-2-yl)phenyl]methanamine
• Synonyms: 1-(2-fluoro-4-thien-2-ylphenyl)methanamine

Database IDs

• MDL Number: MFCD09055090
• PubChem SID: 180667001
• PubChem CID: 45792611

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2293013
• LogD (pH = 7.4): 1.1080484
• Log P: 2.6660895
• Molar Refractivity: 56.7739 cm^3
• Polarizability: 22.944052 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.989

Product Information

• Purity: 95%