3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one

C12H16F3NO2 — CID 164558978

IUPAC3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(C)c1cc(C(F)(F)F)cn(CCO)c1=O
InChIInChI=1S/C12H16F3NO2/c1-11(2,3)9-6-8(12(13,14)15)7-16(4-5-17)10(9)18/h6-7,17H,4-5H2,1-3H3
InChIKeyUWKOCKOVPOUEMY-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.16
Rot. Bonds2

About 3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one

3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 164558978) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID164558978
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(C)c1cc(C(F)(F)F)cn(CCO)c1=O
InChIInChI=1S/C12H16F3NO2/c1-11(2,3)9-6-8(12(13,14)15)7-16(4-5-17)10(9)18/h6-7,17H,4-5H2,1-3H3
InChIKeyUWKOCKOVPOUEMY-UHFFFAOYSA-N
XLogP2.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642075
5-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 89642120
5-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642133
5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 117836128
5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 117836137
5-Tert-butyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 117836139
1-(Hydroxymethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301549
Ethane;5-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 144497122
ethane;5-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 144497179
ethane;5-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 144497195
3-Ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one
CID 144581607
Ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041508

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one (CID 164558978) is 3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one is CC(C)(C)c1cc(C(F)(F)F)cn(CCO)c1=O.
What is the InChIKey of 3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is UWKOCKOVPOUEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-11(2,3)9-6-8(12(13,14)15)7-16(4-5-17)10(9)18/h6-7,17H,4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one?
3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 263.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 164558978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).