2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C9H8Cl2F3NOS — CID 78865458

IUPAC2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H8Cl2F3NOS/c1-2-15(4-9(12,13)14)8(16)5-3-6(10)17-7(5)11/h3H,2,4H2,1H3
InChIKeyQYAAQICLQDYJMG-UHFFFAOYSA-N
MW306.14 g/mol
LogP4.08
Rot. Bonds3

About 2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 78865458) has the molecular formula C9H8Cl2F3NOS and a molecular weight of 306.14 g/mol. Its IUPAC name is 2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID78865458
Molecular FormulaC9H8Cl2F3NOS
Molecular Weight306.14 g/mol
Exact Mass304.97
IUPAC Name2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H8Cl2F3NOS/c1-2-15(4-9(12,13)14)8(16)5-3-6(10)17-7(5)11/h3H,2,4H2,1H3
InChIKeyQYAAQICLQDYJMG-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
CID 75457383
(4-Chlorothiophen-3-yl)-[3-(difluoromethyl)azetidin-1-yl]methanone
CID 137956487
3-[(2,5-Dichlorothiophen-3-yl)formamido]-2,2-difluoropropanoic acid
CID 154577507
2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 56531227
(2,5-Dichlorothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60357312
N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78865563
N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78883082
N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
CID 86833521
2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 103857559
2,5-dichloro-N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide
CID 104857095
N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide
CID 104954947
2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 107963451

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 78865458) is 2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CCN(CC(F)(F)F)C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is QYAAQICLQDYJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F3NOS/c1-2-15(4-9(12,13)14)8(16)5-3-6(10)17-7(5)11/h3H,2,4H2,1H3.
What are the key properties of 2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 306.14 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 78865458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).