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

C12H9F4NS — CID 171207818

IUPAC(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H9F4NS/c13-10-8(11(17)7-4-5-18-6-7)2-1-3-9(10)12(14,15)16/h1-6,11H,17H2/t11-/m1/s1
InChIKeyYHEAWOUFGWQJDU-LLVKDONJSA-N
MW275.27 g/mol
LogP3.95
Rot. Bonds2

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

(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine (PubChem CID 171207818) has the molecular formula C12H9F4NS and a molecular weight of 275.27 g/mol. Its IUPAC name is (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
PubChem CID171207818
Molecular FormulaC12H9F4NS
Molecular Weight275.27 g/mol
Exact Mass275.04
IUPAC Name(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H9F4NS/c13-10-8(11(17)7-4-5-18-6-7)2-1-3-9(10)12(14,15)16/h1-6,11H,17H2/t11-/m1/s1
InChIKeyYHEAWOUFGWQJDU-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

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Related Compounds

(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209418
(S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171211443
(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171203703
(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171228701
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171227181
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
(R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171207606
(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171228865
2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride
CID 171218453
[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105196827
(R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171249000
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499

Frequently Asked Questions

What is the IUPAC name of (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The IUPAC name of (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine (CID 171207818) is (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine is N[C@H](c1ccsc1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The InChIKey is YHEAWOUFGWQJDU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H9F4NS/c13-10-8(11(17)7-4-5-18-6-7)2-1-3-9(10)12(14,15)16/h1-6,11H,17H2/t11-/m1/s1.
What are the key properties of (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
(S)-[2-fluoro-3-(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)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine is sourced from PubChem (CID 171207818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).