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

C9H8Cl2F3NO2S — CID 103857559

IUPAC2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1cc(Cl)sc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H8Cl2F3NO2S/c10-6-3-5(7(11)18-6)8(17)15(1-2-16)4-9(12,13)14/h3,16H,1-2,4H2
InChIKeyKPMRCWWHUIOBHU-UHFFFAOYSA-N
MW322.14 g/mol
LogP3.05
Rot. Bonds4

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

2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 103857559) has the molecular formula C9H8Cl2F3NO2S and a molecular weight of 322.14 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID103857559
Molecular FormulaC9H8Cl2F3NO2S
Molecular Weight322.14 g/mol
Exact Mass320.96
IUPAC Name2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1cc(Cl)sc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H8Cl2F3NO2S/c10-6-3-5(7(11)18-6)8(17)15(1-2-16)4-9(12,13)14/h3,16H,1-2,4H2
InChIKeyKPMRCWWHUIOBHU-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78865458
2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103723071
2,5-dichloro-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103769641
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 103857473
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
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 107482828
2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 107963451
2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-carboxamide
CID 107966454

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 103857559) is 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is O=C(c1cc(Cl)sc1Cl)N(CCO)CC(F)(F)F.
What is the InChIKey of 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is KPMRCWWHUIOBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F3NO2S/c10-6-3-5(7(11)18-6)8(17)15(1-2-16)4-9(12,13)14/h3,16H,1-2,4H2.
What are the key properties of 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 322.14 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 103857559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).