ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one

C13H20F3NO2 — CID 157041510

IUPACethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC.CCc1cc(C(F)(F)F)cn(CCOC)c1=O
InChIInChI=1S/C11H14F3NO2.C2H6/c1-3-8-6-9(11(12,13)14)7-15(10(8)16)4-5-17-2;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyITXLTCAHBMIAEP-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.10
Rot. Bonds4

About ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one

ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157041510) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Nameethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID157041510
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Nameethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC.CCc1cc(C(F)(F)F)cn(CCOC)c1=O
InChIInChI=1S/C11H14F3NO2.C2H6/c1-3-8-6-9(11(12,13)14)7-15(10(8)16)4-5-17-2;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyITXLTCAHBMIAEP-UHFFFAOYSA-N
XLogP3.10
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-{[ethyl(2-methylallyl)amino]methyl}-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 53191683
1-(2-Methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84313614
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
(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
Ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041508
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
1-(1,4-Dioxan-2-ylmethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane
CID 157041906
Ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
CID 157042101
3-Tert-butyl-1-(1,4-dioxan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157042121
3-Tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 157042519

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one (CID 157041510) is ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one is CC.CCc1cc(C(F)(F)F)cn(CCOC)c1=O.
What is the InChIKey of ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ITXLTCAHBMIAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2.C2H6/c1-3-8-6-9(11(12,13)14)7-15(10(8)16)4-5-17-2;1-2/h6-7H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one?
ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 279.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157041510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).