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

C9H8F6N2O — CID 142728233

IUPAC3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one
SMILESCC(Nc1c[nH]c(=O)c(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C9H8F6N2O/c1-4(8(10,11)12)17-5-2-6(9(13,14)15)7(18)16-3-5/h2-4,17H,1H3,(H,16,18)
InChIKeyRQTFDBUMNXVJPT-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.76
Rot. Bonds2

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

3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one (PubChem CID 142728233) has the molecular formula C9H8F6N2O and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one
PubChem CID142728233
Molecular FormulaC9H8F6N2O
Molecular Weight274.16 g/mol
Exact Mass274.05
IUPAC Name3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one
SMILESCC(Nc1c[nH]c(=O)c(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C9H8F6N2O/c1-4(8(10,11)12)17-5-2-6(9(13,14)15)7(18)16-3-5/h2-4,17H,1H3,(H,16,18)
InChIKeyRQTFDBUMNXVJPT-UHFFFAOYSA-N
XLogP2.76
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Amino-3-methyl-1,2-dihydropyridin-2-one hydrochloride
CID 71757320
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
5-Amino-3-methylpyridin-2-ol
CID 62475744
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
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
ethane;3-(trifluoromethyl)-1H-pyridin-2-one
CID 153336839
3-[(2,2-Difluoroethylamino)methyl]-1-methylpyridin-2-one
CID 172494295

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one?
The IUPAC name of 3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one (CID 142728233) is 3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one is CC(Nc1c[nH]c(=O)c(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one?
The InChIKey is RQTFDBUMNXVJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O/c1-4(8(10,11)12)17-5-2-6(9(13,14)15)7(18)16-3-5/h2-4,17H,1H3,(H,16,18).
What are the key properties of 3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one?
3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one has a molecular weight of 274.16 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one is sourced from PubChem (CID 142728233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).