1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one

C14H22F2N2O — CID 155374675

IUPAC1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one
SMILESCCC(C)n1cc(CCN(C)CC(F)F)ccc1=O
InChIInChI=1S/C14H22F2N2O/c1-4-11(2)18-9-12(5-6-14(18)19)7-8-17(3)10-13(15)16/h5-6,9,11,13H,4,7-8,10H2,1-3H3
InChIKeyPFRJDBAPHRDKBX-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.56
Rot. Bonds7

About 1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one

1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one (PubChem CID 155374675) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one
PubChem CID155374675
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one
SMILESCCC(C)n1cc(CCN(C)CC(F)F)ccc1=O
InChIInChI=1S/C14H22F2N2O/c1-4-11(2)18-9-12(5-6-14(18)19)7-8-17(3)10-13(15)16/h5-6,9,11,13H,4,7-8,10H2,1-3H3
InChIKeyPFRJDBAPHRDKBX-UHFFFAOYSA-N
XLogP2.56
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]butanenitrile
CID 55027702
3-Fluoro-5-methyl-1-propan-2-ylpyridin-2-one
CID 57640466
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
1-Ethyl-5-(trifluoromethyl)pyridin-2-one
CID 58147747
5-Propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 58592703
1-(2-Methylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 67473511
(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one
CID 71032511
1-Propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 84314129
1-(2-Fluoroethyl)-5-methylpyridin-2-one
CID 84409535

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one (CID 155374675) is 1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one is CCC(C)n1cc(CCN(C)CC(F)F)ccc1=O.
What is the InChIKey of 1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one?
The InChIKey is PFRJDBAPHRDKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c1-4-11(2)18-9-12(5-6-14(18)19)7-8-17(3)10-13(15)16/h5-6,9,11,13H,4,7-8,10H2,1-3H3.
What are the key properties of 1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one?
1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one has a molecular weight of 272.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 155374675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).