1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one

C10H9F6NO — CID 170587584

IUPAC1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1c(C(F)(F)F)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C10H9F6NO/c1-5(2)17-7(10(14,15)16)3-6(4-8(17)18)9(11,12)13/h3-5H,1-2H3
InChIKeyLWYUDYAYWOBKBJ-UHFFFAOYSA-N
MW273.18 g/mol
LogP3.47
Rot. Bonds1

About 1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one

1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one (PubChem CID 170587584) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is 1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
PubChem CID170587584
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1c(C(F)(F)F)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C10H9F6NO/c1-5(2)17-7(10(14,15)16)3-6(4-8(17)18)9(11,12)13/h3-5H,1-2H3
InChIKeyLWYUDYAYWOBKBJ-UHFFFAOYSA-N
XLogP3.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3,3-Trifluoro-1-pentafluoroethyl-2-trifluorometh-ylpropenyl)-1h-pyridin-2-one
CID 12726242
1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)
CID 134859364
1-ethyl-4,6-dimethyl-2(1H)-pyridone
CID 21538594
1,6-Dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 22382014
1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone
CID 22382033
1,4-dimethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 22382050
1,6-Dimethyl-3-iodo-4-(trifluoromethyl)-2-pyridone
CID 22382056
3-Fluoro-5-methyl-1-propan-2-ylpyridin-2-one
CID 57640466
1-Ethyl-5-(trifluoromethyl)pyridin-2-one
CID 58147747
3-Methyl-2-(trifluoromethyl)quinolizin-4-one
CID 59284176
(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one
CID 71032511
1-Propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 84314129

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one (CID 170587584) is 1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one is CC(C)n1c(C(F)(F)F)cc(C(F)(F)F)cc1=O.
What is the InChIKey of 1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
The InChIKey is LWYUDYAYWOBKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO/c1-5(2)17-7(10(14,15)16)3-6(4-8(17)18)9(11,12)13/h3-5H,1-2H3.
What are the key properties of 1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one has a molecular weight of 273.18 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 170587584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).