3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one

C12H17F2NO2 — CID 178099196

IUPAC3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one
SMILESCCC(C)c1cccn(CCOC(F)F)c1=O
InChIInChI=1S/C12H17F2NO2/c1-3-9(2)10-5-4-6-15(11(10)16)7-8-17-12(13)14/h4-6,9,12H,3,7-8H2,1-2H3
InChIKeyQDUSWXLTKBILQW-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.60
Rot. Bonds6

About 3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one

3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one (PubChem CID 178099196) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one
PubChem CID178099196
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one
SMILESCCC(C)c1cccn(CCOC(F)F)c1=O
InChIInChI=1S/C12H17F2NO2/c1-3-9(2)10-5-4-6-15(11(10)16)7-8-17-12(13)14/h4-6,9,12H,3,7-8H2,1-2H3
InChIKeyQDUSWXLTKBILQW-UHFFFAOYSA-N
XLogP2.60
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041508
Ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041510
3-Ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041511
3-Tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041819
3-Tert-butyl-1-[3-[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-3-methylbutyl]-5-(trifluoromethyl)pyridin-2-one
CID 170112171
3-Butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one
CID 178099166
5-Fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099286
6-Fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099296
3-Butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one
CID 178099300
1-[2-(Difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one
CID 178099342
4-Fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099357
3-Butan-2-yl-1-(2,2-difluoroethyl)-5-fluoropyridin-2-one
CID 178099450

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one?
The IUPAC name of 3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one (CID 178099196) is 3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one is CCC(C)c1cccn(CCOC(F)F)c1=O.
What is the InChIKey of 3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one?
The InChIKey is QDUSWXLTKBILQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-3-9(2)10-5-4-6-15(11(10)16)7-8-17-12(13)14/h4-6,9,12H,3,7-8H2,1-2H3.
What are the key properties of 3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one?
3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one has a molecular weight of 245.27 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 178099196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).