5-(trifluoromethyl)thiophen-2-amine

• ChemBase ID: 813130
• Molecular Formular: C5H4F3NS
• Molecular Mass: 167.1521696
• Monoisotopic Mass: 167.00165479
• SMILES: s1c(ccc1C(F)(F)F)N
• Canonical SMILES: FC(c1ccc(s1)N)(F)F
• InChI: InChI=1S/C5H4F3NS/c6-5(7,8)3-1-2-4(9)10-3/h1-2H,9H2
• InChIKey: JUDFVTYLQYHGKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(trifluoromethyl)thiophen-2-amine
• IUPAC Traditional name: 5-(trifluoromethyl)thiophen-2-amine
• Synonyms: 2-THIOPHENAMINE, 5-(TRIFLUOROMETHYL)-

Database IDs

• CAS Number: 681444-96-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1010456
• LogD (pH = 7.4): 2.1010456
• Log P: 2.1010456
• Molar Refractivity: 32.7819 cm^3
• Polarizability: 11.585579 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%