(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride

C12H10Cl2F3NS — CID 171234951

IUPAC(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(Cl)cc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C12H9ClF3NS.ClH/c13-9-5-7(4-8(6-9)12(14,15)16)11(17)10-2-1-3-18-10;/h1-6,11H,17H2;1H/t11-;/m1./s1
InChIKeyUVYJVZIOYAHNMD-RFVHGSKJSA-N
MW328.19 g/mol
LogP4.89
Rot. Bonds2

About (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride

(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171234951) has the molecular formula C12H10Cl2F3NS and a molecular weight of 328.19 g/mol. Its IUPAC name is (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171234951
Molecular FormulaC12H10Cl2F3NS
Molecular Weight328.19 g/mol
Exact Mass326.99
IUPAC Name(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(Cl)cc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C12H9ClF3NS.ClH/c13-9-5-7(4-8(6-9)12(14,15)16)11(17)10-2-1-3-18-10;/h1-6,11H,17H2;1H/t11-;/m1./s1
InChIKeyUVYJVZIOYAHNMD-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)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171202537
(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171227008
(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171234952
(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 171231154
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171244734
(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
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171234964
(S)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171209277
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401

Frequently Asked Questions

What is the IUPAC name of (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride (CID 171234951) is (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride is Cl.N[C@H](c1cc(Cl)cc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is UVYJVZIOYAHNMD-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H9ClF3NS.ClH/c13-9-5-7(4-8(6-9)12(14,15)16)11(17)10-2-1-3-18-10;/h1-6,11H,17H2;1H/t11-;/m1./s1.
What are the key properties of (R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride?
(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-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)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171234951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).