2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide

C9H8Br2F3NOS — CID 104854915

IUPAC2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H8Br2F3NOS/c1-4(3-9(12,13)14)15-8(16)5-2-6(10)17-7(5)11/h2,4H,3H2,1H3,(H,15,16)
InChIKeyUSZGXVCIBUKAPH-UHFFFAOYSA-N
MW395.04 g/mol
LogP4.34
Rot. Bonds3

About 2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide

2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide (PubChem CID 104854915) has the molecular formula C9H8Br2F3NOS and a molecular weight of 395.04 g/mol. Its IUPAC name is 2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
PubChem CID104854915
Molecular FormulaC9H8Br2F3NOS
Molecular Weight395.04 g/mol
Exact Mass392.86
IUPAC Name2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H8Br2F3NOS/c1-4(3-9(12,13)14)15-8(16)5-2-6(10)17-7(5)11/h2,4H,3H2,1H3,(H,15,16)
InChIKeyUSZGXVCIBUKAPH-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.04
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide 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-bromo-N-propylthiophene-3-carboxamide
CID 40012378
5-bromo-N-[4-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 37076847
5-bromo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 43424514
5-bromo-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 47159913
5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 54878193
5-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 54942221
5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 54983606
5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 55028526
5-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-carboxamide
CID 60735738
5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 60778311
5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 60779659
5-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
CID 60954407

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide (CID 104854915) is 2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide is CC(CC(F)(F)F)NC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide?
The InChIKey is USZGXVCIBUKAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2F3NOS/c1-4(3-9(12,13)14)15-8(16)5-2-6(10)17-7(5)11/h2,4H,3H2,1H3,(H,15,16).
What are the key properties of 2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide?
2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide has a molecular weight of 395.04 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 104854915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).