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

C10H8F3NO2S — CID 79693657

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1csc(C#CCO)c1
InChIInChI=1S/C10H8F3NO2S/c11-10(12,13)6-14-9(16)7-4-8(17-5-7)2-1-3-15/h4-5,15H,3,6H2,(H,14,16)
InChIKeyAXWMQFPNXLDUAX-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.38
Rot. Bonds2

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

5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 79693657) has the molecular formula C10H8F3NO2S and a molecular weight of 263.24 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID79693657
Molecular FormulaC10H8F3NO2S
Molecular Weight263.24 g/mol
Exact Mass263.02
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1csc(C#CCO)c1
InChIInChI=1S/C10H8F3NO2S/c11-10(12,13)6-14-9(16)7-4-8(17-5-7)2-1-3-15/h4-5,15H,3,6H2,(H,14,16)
InChIKeyAXWMQFPNXLDUAX-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-carboxamide
CID 106432441
5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide
CID 79696223
5-(4-hydroxybut-1-ynyl)-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 115521794
N-(4-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696600
5-(3-hydroxyprop-1-ynyl)-N-(3-sulfamoylpropyl)thiophene-3-carboxamide
CID 79696498
5-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 79696359
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79694004
N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106240619
5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696892
5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
CID 79690422
5-(3-hydroxyprop-1-ynyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-carboxamide
CID 114117453
5-(3-hydroxyprop-1-ynyl)-N-(2,3,4-trifluorophenyl)thiophene-3-carboxamide
CID 79692399

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 79693657) is 5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is O=C(NCC(F)(F)F)c1csc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is AXWMQFPNXLDUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2S/c11-10(12,13)6-14-9(16)7-4-8(17-5-7)2-1-3-15/h4-5,15H,3,6H2,(H,14,16).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 263.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 79693657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).