1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

C7H6F3NO2 — CID 154512742

IUPAC1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESO=c1ccn(C(O)C(F)(F)F)cc1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)6(13)11-3-1-5(12)2-4-11/h1-4,6,13H
InChIKeyNQSIGVAWCOCNNL-UHFFFAOYSA-N
MW193.12 g/mol
LogP0.90
Rot. Bonds1

About 1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (PubChem CID 154512742) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
PubChem CID154512742
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESO=c1ccn(C(O)C(F)(F)F)cc1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)6(13)11-3-1-5(12)2-4-11/h1-4,6,13H
InChIKeyNQSIGVAWCOCNNL-UHFFFAOYSA-N
XLogP0.90
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-Trifluoroethyl)pyridin-4(1H)-one
CID 21285111
3-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-4(1H)-one
CID 49869748
1-(2,2-Difluoroethyl)-3-hydroxypyridin-4-one
CID 88984912
1-(2,2-Difluoroethyl)pyridin-4-one
CID 116622370
(E)-4-[bis(2-hydroxyethyl)amino]-1,1,1-trifluorobut-3-en-2-one
CID 21581667
1-(2,2,2-Trifluoroethoxymethyl)pyridin-4-one
CID 106706327
1-(Difluoromethyl)pyridin-4-one
CID 116622262
1-(2-Hydroxyethyl)-1,4-dihydro-4-pyridone
CID 22624935
1-(Hydroxymethyl)pyridin-4-one
CID 130028073

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The IUPAC name of 1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (CID 154512742) is 1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is O=c1ccn(C(O)C(F)(F)F)cc1.
What is the InChIKey of 1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The InChIKey is NQSIGVAWCOCNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)6(13)11-3-1-5(12)2-4-11/h1-4,6,13H.
What are the key properties of 1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one has a molecular weight of 193.12 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 154512742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).