2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide

C9H10F3NO2S — CID 81339728

IUPAC2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
SMILESCc1cc(C(=O)NOCC(F)(F)F)c(C)s1
InChIInChI=1S/C9H10F3NO2S/c1-5-3-7(6(2)16-5)8(14)13-15-4-9(10,11)12/h3H,4H2,1-2H3,(H,13,14)
InChIKeyGVDHDTHCAQGCPS-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.59
Rot. Bonds3

About 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide

2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide (PubChem CID 81339728) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
PubChem CID81339728
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
SMILESCc1cc(C(=O)NOCC(F)(F)F)c(C)s1
InChIInChI=1S/C9H10F3NO2S/c1-5-3-7(6(2)16-5)8(14)13-15-4-9(10,11)12/h3H,4H2,1-2H3,(H,13,14)
InChIKeyGVDHDTHCAQGCPS-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 81341000
1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799452
1-(2,5-dimethylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206517
3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 82722087
3-[(2,5-dimethylthiophene-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 167952807
2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340977
2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
CID 43354495
2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide
CID 114374002
4-bromo-2-methoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81339730
2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340040
3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340679
2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 81341001

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide (CID 81339728) is 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide is Cc1cc(C(=O)NOCC(F)(F)F)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide?
The InChIKey is GVDHDTHCAQGCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-5-3-7(6(2)16-5)8(14)13-15-4-9(10,11)12/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide?
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide has a molecular weight of 253.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide is sourced from PubChem (CID 81339728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).