ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one

C13H21F3N2O — CID 153352768

IUPACethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
SMILESCC.CN(CCc1ccc(=O)n(C)c1)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O.C2H6/c1-15(8-11(12,13)14)6-5-9-3-4-10(17)16(2)7-9;1-2/h3-4,7H,5-6,8H2,1-2H3;1-2H3
InChIKeySQIRFWIRALOFNP-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.45
Rot. Bonds4

About ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one

ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one (PubChem CID 153352768) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Nameethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
PubChem CID153352768
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Nameethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
SMILESCC.CN(CCc1ccc(=O)n(C)c1)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O.C2H6/c1-15(8-11(12,13)14)6-5-9-3-4-10(17)16(2)7-9;1-2/h3-4,7H,5-6,8H2,1-2H3;1-2H3
InChIKeySQIRFWIRALOFNP-UHFFFAOYSA-N
XLogP2.45
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanenitrile
CID 2736732
(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide
CID 131751449
(2E,4E,6E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6-trien-1-one
CID 14427403
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-
CID 14427404
(2E,4E,8Z)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 14427408
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-(9CI)
CID 72731314
1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 72731316
2(1H)-Pyridinone, 1-methyl-5-(trifluoromethyl)-
CID 4534802
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-[(1-Methyl-2-oxopyridin-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 53530146
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
2-[3-Methyl-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836978

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one?
The IUPAC name of ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one (CID 153352768) is ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one is CC.CN(CCc1ccc(=O)n(C)c1)CC(F)(F)F.
What is the InChIKey of ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one?
The InChIKey is SQIRFWIRALOFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O.C2H6/c1-15(8-11(12,13)14)6-5-9-3-4-10(17)16(2)7-9;1-2/h3-4,7H,5-6,8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one?
ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one has a molecular weight of 278.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 153352768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).