(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine

C11H8F3NS — CID 171209924

IUPAC(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
SMILESN[C@H](c1ccsc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H8F3NS/c12-8-4-10(14)9(13)3-7(8)11(15)6-1-2-16-5-6/h1-5,11H,15H2/t11-/m1/s1
InChIKeySOAXFOLLMRHAFL-LLVKDONJSA-N
MW243.25 g/mol
LogP3.21
Rot. Bonds2

About (S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine

(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine (PubChem CID 171209924) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is (S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
PubChem CID171209924
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
SMILESN[C@H](c1ccsc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H8F3NS/c12-8-4-10(14)9(13)3-7(8)11(15)6-1-2-16-5-6/h1-5,11H,15H2/t11-/m1/s1
InChIKeySOAXFOLLMRHAFL-LLVKDONJSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[(R)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171218710
4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171199193
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine
CID 171210488
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171216255
(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine
CID 171225553
(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171216256
(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171202753
(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171232158
2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride
CID 171218453

Frequently Asked Questions

What is the IUPAC name of (S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of (S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine (CID 171209924) is (S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine is N[C@H](c1ccsc1)c1cc(F)c(F)cc1F.
What is the InChIKey of (S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is SOAXFOLLMRHAFL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H8F3NS/c12-8-4-10(14)9(13)3-7(8)11(15)6-1-2-16-5-6/h1-5,11H,15H2/t11-/m1/s1.
What are the key properties of (S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine?
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine has a molecular weight of 243.25 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 171209924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).