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

C12H14Cl2F3NOS — CID 56531227

IUPAC2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H14Cl2F3NOS/c1-11(2,3)5-18(6-12(15,16)17)10(19)7-4-8(13)20-9(7)14/h4H,5-6H2,1-3H3
InChIKeyBPVHQOADFFMKDN-UHFFFAOYSA-N
MW348.22 g/mol
LogP5.11
Rot. Bonds3

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

2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 56531227) has the molecular formula C12H14Cl2F3NOS and a molecular weight of 348.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID56531227
Molecular FormulaC12H14Cl2F3NOS
Molecular Weight348.22 g/mol
Exact Mass347.01
IUPAC Name2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H14Cl2F3NOS/c1-11(2,3)5-18(6-12(15,16)17)10(19)7-4-8(13)20-9(7)14/h4H,5-6H2,1-3H3
InChIKeyBPVHQOADFFMKDN-UHFFFAOYSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.22
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Chlorothiophen-3-yl)-[3-(difluoromethyl)azetidin-1-yl]methanone
CID 137956487
(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-(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
1-(2,5-Dichlorothiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 107959625
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
N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide
CID 107966457
2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 107966460
N-(2-bromoethyl)-2,5-dichloro-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 107966463

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 56531227) is 2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CC(C)(C)CN(CC(F)(F)F)C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is BPVHQOADFFMKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2F3NOS/c1-11(2,3)5-18(6-12(15,16)17)10(19)7-4-8(13)20-9(7)14/h4H,5-6H2,1-3H3.
What are the key properties of 2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
2,5-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 348.22 g/mol, XLogP of 5.11, 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-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 56531227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).