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

C12H10Cl2F3NS — CID 171207606

IUPAC(R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H9ClF3NS.ClH/c13-9-3-1-2-8(12(14,15)16)10(9)11(17)7-4-5-18-6-7;/h1-6,11H,17H2;1H/t11-;/m1./s1
InChIKeyCZAUKTZJHFXSDM-RFVHGSKJSA-N
MW328.19 g/mol
LogP4.89
Rot. Bonds2

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

(R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171207606) has the molecular formula C12H10Cl2F3NS and a molecular weight of 328.19 g/mol. Its IUPAC name is (R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171207606
Molecular FormulaC12H10Cl2F3NS
Molecular Weight328.19 g/mol
Exact Mass326.99
IUPAC Name(R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H9ClF3NS.ClH/c13-9-3-1-2-8(12(14,15)16)10(9)11(17)7-4-5-18-6-7;/h1-6,11H,17H2;1H/t11-;/m1./s1
InChIKeyCZAUKTZJHFXSDM-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-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171227181
(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209418
(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171228865
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171207818
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171216151
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210314
(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171234952
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine;hydrochloride
CID 171227171
2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol
CID 171204756

Frequently Asked Questions

What is the IUPAC name of (R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride (CID 171207606) is (R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@H](c1ccsc1)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of (R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is CZAUKTZJHFXSDM-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H9ClF3NS.ClH/c13-9-3-1-2-8(12(14,15)16)10(9)11(17)7-4-5-18-6-7;/h1-6,11H,17H2;1H/t11-;/m1./s1.
What are the key properties of (R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
(R)-[2-chloro-6-(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-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171207606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).