5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one

C8H6F6N2O — CID 142728237

IUPAC5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(NCC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H6F6N2O/c9-7(10,11)3-16-4-1-5(8(12,13)14)6(17)15-2-4/h1-2,16H,3H2,(H,15,17)
InChIKeyALWKITPICPBTEH-UHFFFAOYSA-N
MW260.14 g/mol
LogP2.37
Rot. Bonds2

About 5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one

5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 142728237) has the molecular formula C8H6F6N2O and a molecular weight of 260.14 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID142728237
Molecular FormulaC8H6F6N2O
Molecular Weight260.14 g/mol
Exact Mass260.04
IUPAC Name5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(NCC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H6F6N2O/c9-7(10,11)3-16-4-1-5(8(12,13)14)6(17)15-2-4/h1-2,16H,3H2,(H,15,17)
InChIKeyALWKITPICPBTEH-UHFFFAOYSA-N
XLogP2.37
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2(1H)-Pyridinone, 3-(trifluoromethyl)-
CID 3678411
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
3-(Difluoromethyl)pyridin-2(1H)-one
CID 70397555
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-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728234
5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728235
ethane;3-(trifluoromethyl)-1H-pyridin-2-one
CID 143625936
6-(Trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 154063306
1H-pyridin-2-one;trifluoro(iodo)methane;3-(trifluoromethyl)-1H-pyridin-2-one
CID 161346597

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one (CID 142728237) is 5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(NCC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ALWKITPICPBTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2O/c9-7(10,11)3-16-4-1-5(8(12,13)14)6(17)15-2-4/h1-2,16H,3H2,(H,15,17).
What are the key properties of 5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one?
5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 260.14 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 142728237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).