6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one

C8H8F3NO — CID 11041570

IUPAC6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCc1cc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H8F3NO/c1-2-6-3-5(8(9,10)11)4-7(13)12-6/h3-4H,2H2,1H3,(H,12,13)
InChIKeyYWISVZNBSPNTLD-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.96
Rot. Bonds1

About 6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one

6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 11041570) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID11041570
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCc1cc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H8F3NO/c1-2-6-3-5(8(9,10)11)4-7(13)12-6/h3-4H,2H2,1H3,(H,12,13)
InChIKeyYWISVZNBSPNTLD-UHFFFAOYSA-N
XLogP1.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 247440
2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile
CID 674145
Pulchellalactam
CID 10261263
6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
CID 1478207
6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1480186
4,6-Dimethylpyridin-2-ol
CID 226288
4-Methyl-5-(2-methylpropylidene)pyrrol-2-one
CID 71435950
6-Isopropylpyridin-2(1H)-one
CID 12354335
6-(tert-Butyl)pyridin-2(1H)-one
CID 13494636
3-Methyl-6-propyl-1h-pyridin-2-one
CID 12354332
5-Amino-4,6-dimethylpyridin-2(1H)-one
CID 23008633

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 11041570) is 6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one is CCc1cc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is YWISVZNBSPNTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-2-6-3-5(8(9,10)11)4-7(13)12-6/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one?
6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 191.15 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 11041570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).