N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C9H8F3NO2S — CID 25023795

IUPACN-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C9H8F3NO2S/c1-2-13-8(15)6-4-3-5(16-6)7(14)9(10,11)12/h3-4H,2H2,1H3,(H,13,15)
InChIKeyXYMSMXPTPHUKFO-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.24
Rot. Bonds3

About N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 25023795) has the molecular formula C9H8F3NO2S and a molecular weight of 251.23 g/mol. Its IUPAC name is N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID25023795
Molecular FormulaC9H8F3NO2S
Molecular Weight251.23 g/mol
Exact Mass251.02
IUPAC NameN-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C9H8F3NO2S/c1-2-13-8(15)6-4-3-5(16-6)7(14)9(10,11)12/h3-4H,2H2,1H3,(H,13,15)
InChIKeyXYMSMXPTPHUKFO-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 25023795) is N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is CCNC(=O)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is XYMSMXPTPHUKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2S/c1-2-13-8(15)6-4-3-5(16-6)7(14)9(10,11)12/h3-4H,2H2,1H3,(H,13,15).
What are the key properties of N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 251.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 25023795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).