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

C10H7F9N2O — CID 71565316

IUPAC5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(N(CC(F)(F)F)CC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H7F9N2O/c11-8(12,13)3-21(4-9(14,15)16)5-1-6(10(17,18)19)7(22)20-2-5/h1-2H,3-4H2,(H,20,22)
InChIKeyWIPCCQRLXIHCRY-UHFFFAOYSA-N
MW342.16 g/mol
LogP3.32
Rot. Bonds3

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

5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 71565316) has the molecular formula C10H7F9N2O and a molecular weight of 342.16 g/mol. Its IUPAC name is 5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID71565316
Molecular FormulaC10H7F9N2O
Molecular Weight342.16 g/mol
Exact Mass342.04
IUPAC Name5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(N(CC(F)(F)F)CC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H7F9N2O/c11-8(12,13)3-21(4-9(14,15)16)5-1-6(10(17,18)19)7(22)20-2-5/h1-2H,3-4H2,(H,20,22)
InChIKeyWIPCCQRLXIHCRY-UHFFFAOYSA-N
XLogP3.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
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-[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
5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728237
ethane;3-(trifluoromethyl)-1H-pyridin-2-one
CID 143625936
6-(Trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 154063306
3-[(2,2-Difluoroethylamino)methyl]-1-methylpyridin-2-one
CID 172494295

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one (CID 71565316) is 5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(N(CC(F)(F)F)CC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is WIPCCQRLXIHCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F9N2O/c11-8(12,13)3-21(4-9(14,15)16)5-1-6(10(17,18)19)7(22)20-2-5/h1-2H,3-4H2,(H,20,22).
What are the key properties of 5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one?
5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 342.16 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 71565316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).