1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

C12H16F3NO2 — CID 157041509

IUPAC1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCOCCn1cc(C(F)(F)F)cc(C(C)C)c1=O
InChIInChI=1S/C12H16F3NO2/c1-8(2)10-6-9(12(13,14)15)7-16(11(10)17)4-5-18-3/h6-8H,4-5H2,1-3H3
InChIKeyKEIKSFVGTBIARQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.64
Rot. Bonds4

About 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157041509) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID157041509
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCOCCn1cc(C(F)(F)F)cc(C(C)C)c1=O
InChIInChI=1S/C12H16F3NO2/c1-8(2)10-6-9(12(13,14)15)7-16(11(10)17)4-5-18-3/h6-8H,4-5H2,1-3H3
InChIKeyKEIKSFVGTBIARQ-UHFFFAOYSA-N
XLogP2.64
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.64
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-Methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301544
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
Ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 144721534
(3Z)-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747832
1-(2-Methylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 145697734
3-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 155010294
1-Ethyl-5-fluoro-3-propan-2-ylpyridin-2-one
CID 155119422
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 157041509) is 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is COCCn1cc(C(F)(F)F)cc(C(C)C)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is KEIKSFVGTBIARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-8(2)10-6-9(12(13,14)15)7-16(11(10)17)4-5-18-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 263.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157041509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).