(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

C12H7BrClF4NS — CID 80530745

IUPAC(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H7BrClF4NS/c13-11-7(14)4-9(20-11)10(19)5-1-2-8(15)6(3-5)12(16,17)18/h1-4,10H,19H2
InChIKeyJGANOQFZHHICAR-UHFFFAOYSA-N
MW388.61 g/mol
LogP5.37
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 80530745) has the molecular formula C12H7BrClF4NS and a molecular weight of 388.61 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID80530745
Molecular FormulaC12H7BrClF4NS
Molecular Weight388.61 g/mol
Exact Mass386.91
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H7BrClF4NS/c13-11-7(14)4-9(20-11)10(19)5-1-2-8(15)6(3-5)12(16,17)18/h1-4,10H,19H2
InChIKeyJGANOQFZHHICAR-UHFFFAOYSA-N
XLogP5.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.61
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine 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

(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291801
(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291877
[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine
CID 107291822
(4-bromo-5-chlorothiophen-2-yl)-[4-bromo-3-(trifluoromethyl)phenyl]methanamine
CID 102828030
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
(5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 80530682
(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814808
(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289145
(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289052
(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine
CID 138040700
2-bromo-5-[bromo-(3-chloro-4-fluorophenyl)methyl]-3-chlorothiophene
CID 82879819

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (CID 80530745) is (5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(F)c(C(F)(F)F)c1)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is JGANOQFZHHICAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF4NS/c13-11-7(14)4-9(20-11)10(19)5-1-2-8(15)6(3-5)12(16,17)18/h1-4,10H,19H2.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 388.61 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 80530745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).