(S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine

C12H9ClF3NS — CID 171227181

IUPAC(S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccsc1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H9ClF3NS/c13-9-3-1-2-8(12(14,15)16)10(9)11(17)7-4-5-18-6-7/h1-6,11H,17H2/t11-/m0/s1
InChIKeyCJZHWJVLEWHPJF-NSHDSACASA-N
MW291.73 g/mol
LogP4.47
Rot. Bonds2

About (S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine

(S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine (PubChem CID 171227181) has the molecular formula C12H9ClF3NS and a molecular weight of 291.73 g/mol. Its IUPAC name is (S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
PubChem CID171227181
Molecular FormulaC12H9ClF3NS
Molecular Weight291.73 g/mol
Exact Mass291.01
IUPAC Name(S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccsc1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H9ClF3NS/c13-9-3-1-2-8(12(14,15)16)10(9)11(17)7-4-5-18-6-7/h1-6,11H,17H2/t11-/m0/s1
InChIKeyCJZHWJVLEWHPJF-NSHDSACASA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209418
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171207818
(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171216151
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171234952
2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol
CID 171204756
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047
(S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171211443
(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210314

Frequently Asked Questions

What is the IUPAC name of (S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The IUPAC name of (S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine (CID 171227181) is (S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine is N[C@@H](c1ccsc1)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of (S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The InChIKey is CJZHWJVLEWHPJF-NSHDSACASA-N. The full InChI is InChI=1S/C12H9ClF3NS/c13-9-3-1-2-8(12(14,15)16)10(9)11(17)7-4-5-18-6-7/h1-6,11H,17H2/t11-/m0/s1.
What are the key properties of (S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine has a molecular weight of 291.73 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine is sourced from PubChem (CID 171227181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).