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

C8H8F3NO — CID 119086696

IUPAC5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCc1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-2-5-4-12-7(13)3-6(5)8(9,10)11/h3-4H,2H2,1H3,(H,12,13)
InChIKeyKVKQWBNMQSWOKU-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.96
Rot. Bonds1

About 5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one

5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 119086696) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID119086696
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCc1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-2-5-4-12-7(13)3-6(5)8(9,10)11/h3-4H,2H2,1H3,(H,12,13)
InChIKeyKVKQWBNMQSWOKU-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 119086696) is 5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one is CCc1c[nH]c(=O)cc1C(F)(F)F.
What is the InChIKey of 5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is KVKQWBNMQSWOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-2-5-4-12-7(13)3-6(5)8(9,10)11/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one?
5-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 5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 119086696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).