4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline

C11H7BrF3NS — CID 155468082

IUPAC4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline
SMILESFC(F)(F)Nc1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C11H7BrF3NS/c12-10-6-5-9(17-10)7-1-3-8(4-2-7)16-11(13,14)15/h1-6,16H
InChIKeyVKYIQYUIMJHMAQ-UHFFFAOYSA-N
MW322.15 g/mol
LogP5.11
Rot. Bonds2

About 4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline

4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline (PubChem CID 155468082) has the molecular formula C11H7BrF3NS and a molecular weight of 322.15 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline
PubChem CID155468082
Molecular FormulaC11H7BrF3NS
Molecular Weight322.15 g/mol
Exact Mass320.94
IUPAC Name4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline
SMILESFC(F)(F)Nc1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C11H7BrF3NS/c12-10-6-5-9(17-10)7-1-3-8(4-2-7)16-11(13,14)15/h1-6,16H
InChIKeyVKYIQYUIMJHMAQ-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.15
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline (CID 155468082) is 4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline is FC(F)(F)Nc1ccc(-c2ccc(Br)s2)cc1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline?
The InChIKey is VKYIQYUIMJHMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NS/c12-10-6-5-9(17-10)7-1-3-8(4-2-7)16-11(13,14)15/h1-6,16H.
What are the key properties of 4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline?
4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline has a molecular weight of 322.15 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline is sourced from PubChem (CID 155468082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).