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

C12H8ClF4NS — CID 171228865

IUPAC(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccsc1)c1c(C(F)(F)F)ccc(Cl)c1F
InChIInChI=1S/C12H8ClF4NS/c13-8-2-1-7(12(15,16)17)9(10(8)14)11(18)6-3-4-19-5-6/h1-5,11H,18H2/t11-/m0/s1
InChIKeyARYOVDJEHKBLEW-NSHDSACASA-N
MW309.72 g/mol
LogP4.61
Rot. Bonds2

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

(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine (PubChem CID 171228865) has the molecular formula C12H8ClF4NS and a molecular weight of 309.72 g/mol. Its IUPAC name is (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
PubChem CID171228865
Molecular FormulaC12H8ClF4NS
Molecular Weight309.72 g/mol
Exact Mass309.00
IUPAC Name(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccsc1)c1c(C(F)(F)F)ccc(Cl)c1F
InChIInChI=1S/C12H8ClF4NS/c13-8-2-1-7(12(15,16)17)9(10(8)14)11(18)6-3-4-19-5-6/h1-5,11H,18H2/t11-/m0/s1
InChIKeyARYOVDJEHKBLEW-NSHDSACASA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171227181
(R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171207606
(S)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171209277
(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)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210314
1-chloro-2-fluoro-3-propan-2-yl-4-(trifluoromethyl)benzene
CID 58901637
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171228701
(1S)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171228849
(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209418
(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine
CID 171210488

Frequently Asked Questions

What is the IUPAC name of (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The IUPAC name of (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine (CID 171228865) is (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine.
What is the SMILES notation for (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The canonical SMILES for (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine is N[C@@H](c1ccsc1)c1c(C(F)(F)F)ccc(Cl)c1F.
What is the InChIKey of (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The InChIKey is ARYOVDJEHKBLEW-NSHDSACASA-N. The full InChI is InChI=1S/C12H8ClF4NS/c13-8-2-1-7(12(15,16)17)9(10(8)14)11(18)6-3-4-19-5-6/h1-5,11H,18H2/t11-/m0/s1.
What are the key properties of (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine has a molecular weight of 309.72 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine is sourced from PubChem (CID 171228865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).