(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine

C12H9ClF3NS — CID 171234952

IUPAC(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccsc1)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H9ClF3NS/c13-10-4-8(3-9(5-10)12(14,15)16)11(17)7-1-2-18-6-7/h1-6,11H,17H2/t11-/m0/s1
InChIKeyBJVKVDYVXDRJLV-NSHDSACASA-N
MW291.73 g/mol
LogP4.47
Rot. Bonds2

About (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine

(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine (PubChem CID 171234952) has the molecular formula C12H9ClF3NS and a molecular weight of 291.73 g/mol. Its IUPAC name is (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
PubChem CID171234952
Molecular FormulaC12H9ClF3NS
Molecular Weight291.73 g/mol
Exact Mass291.01
IUPAC Name(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccsc1)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H9ClF3NS/c13-10-4-8(3-9(5-10)12(14,15)16)11(17)7-1-2-18-6-7/h1-6,11H,17H2/t11-/m0/s1
InChIKeyBJVKVDYVXDRJLV-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)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171234951
1-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171177949
(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171216151
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171227181
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171244734
(R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171207606
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047

Frequently Asked Questions

What is the IUPAC name of (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The IUPAC name of (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine (CID 171234952) is (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine.
What is the SMILES notation for (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The canonical SMILES for (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine is N[C@@H](c1ccsc1)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The InChIKey is BJVKVDYVXDRJLV-NSHDSACASA-N. The full InChI is InChI=1S/C12H9ClF3NS/c13-10-4-8(3-9(5-10)12(14,15)16)11(17)7-1-2-18-6-7/h1-6,11H,17H2/t11-/m0/s1.
What are the key properties of (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
(R)-[3-chloro-5-(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 (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine is sourced from PubChem (CID 171234952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).