(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

C12H8BrF4NS — CID 107291801

IUPAC(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1csc(Br)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H8BrF4NS/c13-10-4-7(5-19-10)11(18)6-1-2-9(14)8(3-6)12(15,16)17/h1-5,11H,18H2
InChIKeyHDDGVHTVPIWVTI-UHFFFAOYSA-N
MW354.17 g/mol
LogP4.72
Rot. Bonds2

About (5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 107291801) has the molecular formula C12H8BrF4NS and a molecular weight of 354.17 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID107291801
Molecular FormulaC12H8BrF4NS
Molecular Weight354.17 g/mol
Exact Mass352.95
IUPAC Name(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1csc(Br)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H8BrF4NS/c13-10-4-7(5-19-10)11(18)6-1-2-9(14)8(3-6)12(15,16)17/h1-5,11H,18H2
InChIKeyHDDGVHTVPIWVTI-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromothiophen-3-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

(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289052
N-[(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107291929
(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 80530745
(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289435
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine
CID 107291822
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine
CID 107291836
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
CID 115790064
(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291796
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291877
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (CID 107291801) is (5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is NC(c1csc(Br)c1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HDDGVHTVPIWVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF4NS/c13-10-4-7(5-19-10)11(18)6-1-2-9(14)8(3-6)12(15,16)17/h1-5,11H,18H2.
What are the key properties of (5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 354.17 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107291801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).