2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol

C12H11BrFNOS — CID 65435729

IUPAC2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol
SMILESOC(CNc1ccc(Br)c(F)c1)c1cccs1
InChIInChI=1S/C12H11BrFNOS/c13-9-4-3-8(6-10(9)14)15-7-11(16)12-2-1-5-17-12/h1-6,11,15-16H,7H2
InChIKeyNGERLPBFNMKUDU-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.80
Rot. Bonds4

About 2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol

2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol (PubChem CID 65435729) has the molecular formula C12H11BrFNOS and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol
PubChem CID65435729
Molecular FormulaC12H11BrFNOS
Molecular Weight316.20 g/mol
Exact Mass314.97
IUPAC Name2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol
SMILESOC(CNc1ccc(Br)c(F)c1)c1cccs1
InChIInChI=1S/C12H11BrFNOS/c13-9-4-3-8(6-10(9)14)15-7-11(16)12-2-1-5-17-12/h1-6,11,15-16H,7H2
InChIKeyNGERLPBFNMKUDU-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol 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

2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
CID 65437921
4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 65435486
2-(3-bromo-5-methylanilino)-1-thiophen-2-ylethanol
CID 107583087
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853
4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65437692
2-(3-propan-2-ylanilino)-1-thiophen-2-ylethanol
CID 60899443
2-(3-chloro-4-methoxyanilino)-1-thiophen-2-ylethanol
CID 60897079
2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol
CID 60898378
2-(3-bromo-2-methylanilino)-1-thiophen-2-ylethanol
CID 107633618
3-(4-bromo-3-fluoroanilino)-2-methylpropanenitrile
CID 65437513
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
methyl 2-bromo-3-(4-bromo-3-fluoroanilino)propanoate
CID 103252659

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol (CID 65435729) is 2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol is OC(CNc1ccc(Br)c(F)c1)c1cccs1.
What is the InChIKey of 2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol?
The InChIKey is NGERLPBFNMKUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c13-9-4-3-8(6-10(9)14)15-7-11(16)12-2-1-5-17-12/h1-6,11,15-16H,7H2.
What are the key properties of 2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol?
2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol has a molecular weight of 316.20 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 65435729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).