5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one

C11H12F6N2O — CID 142728234

IUPAC5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)N(CC(F)(F)F)c1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F6N2O/c1-6(2)19(5-10(12,13)14)7-3-8(11(15,16)17)9(20)18-4-7/h3-4,6H,5H2,1-2H3,(H,18,20)
InChIKeyFEMMDOCHKNKQHV-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.17
Rot. Bonds3

About 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one

5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 142728234) has the molecular formula C11H12F6N2O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID142728234
Molecular FormulaC11H12F6N2O
Molecular Weight302.22 g/mol
Exact Mass302.09
IUPAC Name5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)N(CC(F)(F)F)c1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F6N2O/c1-6(2)19(5-10(12,13)14)7-3-8(11(15,16)17)9(20)18-4-7/h3-4,6H,5H2,1-2H3,(H,18,20)
InChIKeyFEMMDOCHKNKQHV-UHFFFAOYSA-N
XLogP3.17
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propan-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 59225358
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide
CID 66910956
5-Amino-3-(trifluoromethyl)pyridin-2(1H)-one
CID 71305235
5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 71565316
5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728230
3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one
CID 142728233
5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728235
5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728237
ethane;3-(trifluoromethyl)-1H-pyridin-2-one
CID 143625936
1-Ethenyl-3-methyl-6-(trifluoromethyl)pyridin-2-one
CID 144035062
ethane;3-(trifluoromethyl)-1H-pyridin-2-one
CID 153336839

Frequently Asked Questions

What is the IUPAC name of 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one (CID 142728234) is 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one is CC(C)N(CC(F)(F)F)c1c[nH]c(=O)c(C(F)(F)F)c1.
What is the InChIKey of 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FEMMDOCHKNKQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6N2O/c1-6(2)19(5-10(12,13)14)7-3-8(11(15,16)17)9(20)18-4-7/h3-4,6H,5H2,1-2H3,(H,18,20).
What are the key properties of 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one?
5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 302.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 142728234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).