5-(difluoromethoxy)-1H-quinoxalin-2-one

C9H6F2N2O2 — CID 133058729

IUPAC5-(difluoromethoxy)-1H-quinoxalin-2-one
SMILESO=c1cnc2c(OC(F)F)cccc2[nH]1
InChIInChI=1S/C9H6F2N2O2/c10-9(11)15-6-3-1-2-5-8(6)12-4-7(14)13-5/h1-4,9H,(H,13,14)
InChIKeyXOORGRZJOFJOSL-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.52
Rot. Bonds2

About 5-(difluoromethoxy)-1H-quinoxalin-2-one

5-(difluoromethoxy)-1H-quinoxalin-2-one (PubChem CID 133058729) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-(difluoromethoxy)-1H-quinoxalin-2-one
PubChem CID133058729
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name5-(difluoromethoxy)-1H-quinoxalin-2-one
SMILESO=c1cnc2c(OC(F)F)cccc2[nH]1
InChIInChI=1S/C9H6F2N2O2/c10-9(11)15-6-3-1-2-5-8(6)12-4-7(14)13-5/h1-4,9H,(H,13,14)
InChIKeyXOORGRZJOFJOSL-UHFFFAOYSA-N
XLogP1.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1H-quinoxalin-2-one
CID 10537149
4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole
CID 141359482
5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one
CID 175903872
7-(difluoromethoxy)-1H-1,5-naphthyridin-2-one
CID 130303543
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile
CID 104720431
methyl 4-bromo-8-(difluoromethoxy)quinoline-3-carboxylate
CID 102614445
(5-methyl-2-propan-2-ylcyclohexyl) 4-(difluoromethoxy)-1H-benzimidazole-2-sulfinate
CID 90952184
6-(difluoromethoxy)-1H-pyridin-2-one;ethane
CID 177205169
2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole
CID 168555283
2,4-bis(difluoromethoxy)-1,3-benzoxazole
CID 119004569
4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole
CID 118823794

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1H-quinoxalin-2-one?
The IUPAC name of 5-(difluoromethoxy)-1H-quinoxalin-2-one (CID 133058729) is 5-(difluoromethoxy)-1H-quinoxalin-2-one.
What is the SMILES notation for 5-(difluoromethoxy)-1H-quinoxalin-2-one?
The canonical SMILES for 5-(difluoromethoxy)-1H-quinoxalin-2-one is O=c1cnc2c(OC(F)F)cccc2[nH]1.
What is the InChIKey of 5-(difluoromethoxy)-1H-quinoxalin-2-one?
The InChIKey is XOORGRZJOFJOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c10-9(11)15-6-3-1-2-5-8(6)12-4-7(14)13-5/h1-4,9H,(H,13,14).
What are the key properties of 5-(difluoromethoxy)-1H-quinoxalin-2-one?
5-(difluoromethoxy)-1H-quinoxalin-2-one has a molecular weight of 212.16 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1H-quinoxalin-2-one is sourced from PubChem (CID 133058729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).