3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C8H7BrF3NOS — CID 60778310

IUPAC3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1sccc1Br
InChIInChI=1S/C8H7BrF3NOS/c1-13(4-8(10,11)12)7(14)6-5(9)2-3-15-6/h2-3H,4H2,1H3
InChIKeyHPCOIELFSQKONP-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.14
Rot. Bonds2

About 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 60778310) has the molecular formula C8H7BrF3NOS and a molecular weight of 302.12 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID60778310
Molecular FormulaC8H7BrF3NOS
Molecular Weight302.12 g/mol
Exact Mass300.94
IUPAC Name3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1sccc1Br
InChIInChI=1S/C8H7BrF3NOS/c1-13(4-8(10,11)12)7(14)6-5(9)2-3-15-6/h2-3H,4H2,1H3
InChIKeyHPCOIELFSQKONP-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide 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 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 60778310) is 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CN(CC(F)(F)F)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is HPCOIELFSQKONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NOS/c1-13(4-8(10,11)12)7(14)6-5(9)2-3-15-6/h2-3H,4H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 302.12 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 60778310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).