(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride

C12H10ClF4NS — CID 171209499

IUPAC(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C12H9F4NS.ClH/c13-10-5-7(1-2-9(10)12(14,15)16)11(17)8-3-4-18-6-8;/h1-6,11H,17H2;1H/t11-;/m0./s1
InChIKeyFEQBPGFLWXIFED-MERQFXBCSA-N
MW311.73 g/mol
LogP4.38
Rot. Bonds2

About (S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride

(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171209499) has the molecular formula C12H10ClF4NS and a molecular weight of 311.73 g/mol. Its IUPAC name is (S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171209499
Molecular FormulaC12H10ClF4NS
Molecular Weight311.73 g/mol
Exact Mass311.02
IUPAC Name(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C12H9F4NS.ClH/c13-10-5-7(1-2-9(10)12(14,15)16)11(17)8-3-4-18-6-8;/h1-6,11H,17H2;1H/t11-;/m0./s1
InChIKeyFEQBPGFLWXIFED-MERQFXBCSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786
(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171228701
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 107288767
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047
4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
CID 171198764
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171216151
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-iodophenyl)methanamine
CID 107291498
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199158

Frequently Asked Questions

What is the IUPAC name of (S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride (CID 171209499) is (S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@H](c1ccsc1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of (S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is FEQBPGFLWXIFED-MERQFXBCSA-N. The full InChI is InChI=1S/C12H9F4NS.ClH/c13-10-5-7(1-2-9(10)12(14,15)16)11(17)8-3-4-18-6-8;/h1-6,11H,17H2;1H/t11-;/m0./s1.
What are the key properties of (S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 311.73 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171209499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).