1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one

C17H22F6N2O2 — CID 160978179

IUPAC1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESC.C.Cc1cc(C(F)(F)F)cc(=O)[nH]1.Cc1cc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C8H8F3NO.C7H6F3NO.2CH4/c1-5-3-6(8(9,10)11)4-7(13)12(5)2;1-4-2-5(7(8,9)10)3-6(12)11-4;;/h3-4H,1-2H3;2-3H,1H3,(H,11,12);2*1H4
InChIKeySZDQGTMAWXMIMQ-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.69
Rot. Bonds

About 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one

1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 160978179) has the molecular formula C17H22F6N2O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID160978179
Molecular FormulaC17H22F6N2O2
Molecular Weight400.36 g/mol
Exact Mass400.16
IUPAC Name1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESC.C.Cc1cc(C(F)(F)F)cc(=O)[nH]1.Cc1cc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C8H8F3NO.C7H6F3NO.2CH4/c1-5-3-6(8(9,10)11)4-7(13)12(5)2;1-4-2-5(7(8,9)10)3-6(12)11-4;;/h3-4H,1-2H3;2-3H,1H3,(H,11,12);2*1H4
InChIKeySZDQGTMAWXMIMQ-UHFFFAOYSA-N
XLogP4.69
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one with MolForge

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Related Compounds

(Z)-3-[[2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl-formylamino]-N-methylbut-2-enamide
CID 155699504
1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 158497319
1,6-Dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 158664381
1,4-Dimethyl-6-(trifluoromethyl)pyridin-2-one;3-iodo-1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
CID 159460775
5-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 160264368
7-aminohepta-2,4,6-triynal;1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;hepta-1,3,5-triyn-1-ol;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hexahydrofluoride
CID 161497075
1,6-Dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane
CID 161585109
1,4-Dimethyl-6-(trifluoromethyl)pyridin-2-one;3-iodo-1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one;methane
CID 162018672
N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane
CID 176553610
ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 176553620
6-methyl-4-{[4-(2,2,2-trifluoroethyl)piperazin-1-yl]carbonyl}pyridin-2(1H)-one
CID 124217852
N-[2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]ethyl]acetamide
CID 132488943

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 160978179) is 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is C.C.Cc1cc(C(F)(F)F)cc(=O)[nH]1.Cc1cc(C(F)(F)F)cc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is SZDQGTMAWXMIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.C7H6F3NO.2CH4/c1-5-3-6(8(9,10)11)4-7(13)12(5)2;1-4-2-5(7(8,9)10)3-6(12)11-4;;/h3-4H,1-2H3;2-3H,1H3,(H,11,12);2*1H4.
What are the key properties of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 400.36 g/mol, XLogP of 4.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 160978179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).