(S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride

C11H9ClF3NS — CID 171205796

IUPAC(S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cccs1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H8F3NS.ClH/c12-7-4-3-6(9(13)10(7)14)11(15)8-2-1-5-16-8;/h1-5,11H,15H2;1H/t11-;/m0./s1
InChIKeyROIMAVLTBXGTJH-MERQFXBCSA-N
MW279.71 g/mol
LogP3.64
Rot. Bonds2

About (S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride

(S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride (PubChem CID 171205796) has the molecular formula C11H9ClF3NS and a molecular weight of 279.71 g/mol. Its IUPAC name is (S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
PubChem CID171205796
Molecular FormulaC11H9ClF3NS
Molecular Weight279.71 g/mol
Exact Mass279.01
IUPAC Name(S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cccs1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H8F3NS.ClH/c12-7-4-3-6(9(13)10(7)14)11(15)8-2-1-5-16-8;/h1-5,11H,15H2;1H/t11-;/m0./s1
InChIKeyROIMAVLTBXGTJH-MERQFXBCSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(2,3-difluorophenyl)-thiophen-2-ylmethanamine
CID 94532686
(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
CID 131300822
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine
CID 131296076
(R)-(3-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223396
thiadiazol-5-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146509
(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171201828
(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171200089
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol
CID 131418873
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320

Frequently Asked Questions

What is the IUPAC name of (S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride?
The IUPAC name of (S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride (CID 171205796) is (S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride is Cl.N[C@H](c1cccs1)c1ccc(F)c(F)c1F.
What is the InChIKey of (S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride?
The InChIKey is ROIMAVLTBXGTJH-MERQFXBCSA-N. The full InChI is InChI=1S/C11H8F3NS.ClH/c12-7-4-3-6(9(13)10(7)14)11(15)8-2-1-5-16-8;/h1-5,11H,15H2;1H/t11-;/m0./s1.
What are the key properties of (S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride?
(S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride has a molecular weight of 279.71 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171205796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).