(S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine

C12H9F4NS — CID 171211443

IUPAC(S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C12H9F4NS/c13-9-3-1-2-8(10(9)12(14,15)16)11(17)7-4-5-18-6-7/h1-6,11H,17H2/t11-/m1/s1
InChIKeyFEAXGGCINMNCAS-LLVKDONJSA-N
MW275.27 g/mol
LogP3.95
Rot. Bonds2

About (S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine

(S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine (PubChem CID 171211443) has the molecular formula C12H9F4NS and a molecular weight of 275.27 g/mol. Its IUPAC name is (S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
PubChem CID171211443
Molecular FormulaC12H9F4NS
Molecular Weight275.27 g/mol
Exact Mass275.04
IUPAC Name(S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C12H9F4NS/c13-9-3-1-2-8(10(9)12(14,15)16)11(17)7-4-5-18-6-7/h1-6,11H,17H2/t11-/m1/s1
InChIKeyFEAXGGCINMNCAS-LLVKDONJSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171207818
2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride
CID 171218453
(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209418
(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171203703
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
3-[(R)-amino(thiophen-3-yl)methyl]benzene-1,2-diol
CID 171220543
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171228701
(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171216255
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674

Frequently Asked Questions

What is the IUPAC name of (S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The IUPAC name of (S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine (CID 171211443) is (S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine is N[C@H](c1ccsc1)c1cccc(F)c1C(F)(F)F.
What is the InChIKey of (S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The InChIKey is FEAXGGCINMNCAS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H9F4NS/c13-9-3-1-2-8(10(9)12(14,15)16)11(17)7-4-5-18-6-7/h1-6,11H,17H2/t11-/m1/s1.
What are the key properties of (S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
(S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine has a molecular weight of 275.27 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine is sourced from PubChem (CID 171211443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).