4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one

C7H6F3NO — CID 154206821

IUPAC4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
SMILESO=c1cc(CC(F)(F)F)cc[nH]1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)4-5-1-2-11-6(12)3-5/h1-3H,4H2,(H,11,12)
InChIKeyMCFBTSHKHDQYTH-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.48
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one

4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one (PubChem CID 154206821) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
PubChem CID154206821
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
SMILESO=c1cc(CC(F)(F)F)cc[nH]1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)4-5-1-2-11-6(12)3-5/h1-3H,4H2,(H,11,12)
InChIKeyMCFBTSHKHDQYTH-UHFFFAOYSA-N
XLogP1.48
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Hydroxy-5-(trifluoromethyl)pyridine
CID 147443
2-Hydroxy-4-methylpyridine
CID 280741
2-Hydroxy-4-(trifluoromethyl)pyridine
CID 2775130
2-Hydroxy-5-methylpyridine
CID 70482
3-Hydroxyisoquinoline
CID 2736554
3-Fluoro-5-methyl-1,2-dihydropyridin-2-one
CID 12552277
5-Ethyl-2-pyridinol
CID 19365871
3-Fluoro-4-(trifluoromethyl)pyridin-2-ol
CID 53435090
5-(Trifluoroacetyl)-1,2-dihydropyridin-2-one
CID 57970624
5-(Difluoromethyl)pyridin-2-ol
CID 83854588
5-[chloro(difluoro)methyl]-1H-pyridin-2-one
CID 2315451
3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 102291873

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one (CID 154206821) is 4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one is O=c1cc(CC(F)(F)F)cc[nH]1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The InChIKey is MCFBTSHKHDQYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)4-5-1-2-11-6(12)3-5/h1-3H,4H2,(H,11,12).
What are the key properties of 4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one has a molecular weight of 177.12 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 154206821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).