N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide

C8H6F3NO2S — CID 23330381

IUPACN-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(=O)c1ccc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C8H6F3NO2S/c1-4(13)5-2-3-6(15-5)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyZBMNRWWDADKGSD-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.45
Rot. Bonds2

About N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide

N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 23330381) has the molecular formula C8H6F3NO2S and a molecular weight of 237.20 g/mol. Its IUPAC name is N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide
PubChem CID23330381
Molecular FormulaC8H6F3NO2S
Molecular Weight237.20 g/mol
Exact Mass237.01
IUPAC NameN-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(=O)c1ccc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C8H6F3NO2S/c1-4(13)5-2-3-6(15-5)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyZBMNRWWDADKGSD-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide (CID 23330381) is N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide is CC(=O)c1ccc(NC(=O)C(F)(F)F)s1.
What is the InChIKey of N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is ZBMNRWWDADKGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2S/c1-4(13)5-2-3-6(15-5)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14).
What are the key properties of N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide?
N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 237.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 23330381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).