N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide

C7H5ClF3NOS — CID 115190169

IUPACN-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C7H5ClF3NOS/c1-12(6(13)7(9,10)11)5-3-2-4(8)14-5/h2-3H,1H3
InChIKeyNBPWSWCSPSQZMH-UHFFFAOYSA-N
MW243.64 g/mol
LogP2.93
Rot. Bonds1

About N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide

N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 115190169) has the molecular formula C7H5ClF3NOS and a molecular weight of 243.64 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID115190169
Molecular FormulaC7H5ClF3NOS
Molecular Weight243.64 g/mol
Exact Mass242.97
IUPAC NameN-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C7H5ClF3NOS/c1-12(6(13)7(9,10)11)5-3-2-4(8)14-5/h2-3H,1H3
InChIKeyNBPWSWCSPSQZMH-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide 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 N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide (CID 115190169) is N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is NBPWSWCSPSQZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NOS/c1-12(6(13)7(9,10)11)5-3-2-4(8)14-5/h2-3H,1H3.
What are the key properties of N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide?
N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 243.64 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 115190169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).