1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one

C11H15F2NO2 — CID 178099342

IUPAC1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cccn(CCOC(F)F)c1=O
InChIInChI=1S/C11H15F2NO2/c1-8(2)9-4-3-5-14(10(9)15)6-7-16-11(12)13/h3-5,8,11H,6-7H2,1-2H3
InChIKeyDRYLUQGOOCVHOR-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.21
Rot. Bonds5

About 1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one

1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one (PubChem CID 178099342) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one
PubChem CID178099342
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cccn(CCOC(F)F)c1=O
InChIInChI=1S/C11H15F2NO2/c1-8(2)9-4-3-5-14(10(9)15)6-7-16-11(12)13/h3-5,8,11H,6-7H2,1-2H3
InChIKeyDRYLUQGOOCVHOR-UHFFFAOYSA-N
XLogP2.21
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84313614
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
3-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 155010294
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
Ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041812
3-Tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041819
Ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 164558740
3-Tert-butyl-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 164558978
3-Tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 164708121
1-(2-Methoxyethyl)-3-methyl-5-(trifluoromethyl)pyridin-2-one
CID 166833878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one (CID 178099342) is 1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one is CC(C)c1cccn(CCOC(F)F)c1=O.
What is the InChIKey of 1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one?
The InChIKey is DRYLUQGOOCVHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-8(2)9-4-3-5-14(10(9)15)6-7-16-11(12)13/h3-5,8,11H,6-7H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one?
1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one has a molecular weight of 231.24 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 178099342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).