(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride

C12H10Cl2F3NS — CID 171209418

IUPAC(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C12H9ClF3NS.ClH/c13-10-8(11(17)7-4-5-18-6-7)2-1-3-9(10)12(14,15)16;/h1-6,11H,17H2;1H/t11-;/m1./s1
InChIKeyKGHXCYIKCCZNEJ-RFVHGSKJSA-N
MW328.19 g/mol
LogP4.89
Rot. Bonds2

About (R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride

(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171209418) has the molecular formula C12H10Cl2F3NS and a molecular weight of 328.19 g/mol. Its IUPAC name is (R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171209418
Molecular FormulaC12H10Cl2F3NS
Molecular Weight328.19 g/mol
Exact Mass326.99
IUPAC Name(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C12H9ClF3NS.ClH/c13-10-8(11(17)7-4-5-18-6-7)2-1-3-9(10)12(14,15)16;/h1-6,11H,17H2;1H/t11-;/m1./s1
InChIKeyKGHXCYIKCCZNEJ-RFVHGSKJSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171207818
(R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171207606
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171227181
(S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171211443
(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171228701
(S)-[2-chloro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242801
2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol
CID 171204756
1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 78001930
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242808
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311801
2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride
CID 171218453
(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171203703

Frequently Asked Questions

What is the IUPAC name of (R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride (CID 171209418) is (R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@H](c1ccsc1)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of (R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is KGHXCYIKCCZNEJ-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H9ClF3NS.ClH/c13-10-8(11(17)7-4-5-18-6-7)2-1-3-9(10)12(14,15)16;/h1-6,11H,17H2;1H/t11-;/m1./s1.
What are the key properties of (R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 328.19 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171209418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).