6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

C12H10F6N2O3 — CID 56862466

IUPAC6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H10F6N2O3/c13-11(14,15)7-2-1-6(9(21)19-7)10(22)20-3-4-23-8(5-20)12(16,17)18/h1-2,8H,3-5H2,(H,19,21)
InChIKeyQRSNUWVDSCJHCN-UHFFFAOYSA-N
MW344.21 g/mol
LogP1.80
Rot. Bonds1

About 6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 56862466) has the molecular formula C12H10F6N2O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID56862466
Molecular FormulaC12H10F6N2O3
Molecular Weight344.21 g/mol
Exact Mass344.06
IUPAC Name6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H10F6N2O3/c13-11(14,15)7-2-1-6(9(21)19-7)10(22)20-3-4-23-8(5-20)12(16,17)18/h1-2,8H,3-5H2,(H,19,21)
InChIKeyQRSNUWVDSCJHCN-UHFFFAOYSA-N
XLogP1.80
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56870455
3-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 79403200
3-(3-hydroxyazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 63104545
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 56869394
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63032313
3-(4-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43416114
3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 122147899
(3S,4S)-4-cyclopropyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 72898205
3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 154798042
[2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95399137

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 56862466) is 6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is QRSNUWVDSCJHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N2O3/c13-11(14,15)7-2-1-6(9(21)19-7)10(22)20-3-4-23-8(5-20)12(16,17)18/h1-2,8H,3-5H2,(H,19,21).
What are the key properties of 6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 344.21 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56862466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).