5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C11H10F3NO2S — CID 61075469

IUPAC5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C11H10F3NO2S/c1-15(7-11(12,13)14)10(17)9-5-4-8(18-9)3-2-6-16/h4-5,16H,6-7H2,1H3
InChIKeyIMOBIFDJJHTKHN-UHFFFAOYSA-N
MW277.27 g/mol
LogP1.73
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61075469) has the molecular formula C11H10F3NO2S and a molecular weight of 277.27 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61075469
Molecular FormulaC11H10F3NO2S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C11H10F3NO2S/c1-15(7-11(12,13)14)10(17)9-5-4-8(18-9)3-2-6-16/h4-5,16H,6-7H2,1H3
InChIKeyIMOBIFDJJHTKHN-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61075469) is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CN(CC(F)(F)F)C(=O)c1ccc(C#CCO)s1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is IMOBIFDJJHTKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2S/c1-15(7-11(12,13)14)10(17)9-5-4-8(18-9)3-2-6-16/h4-5,16H,6-7H2,1H3.
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 277.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61075469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).