3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one

C11H12F2N2O — CID 164577895

IUPAC3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one
SMILESCN1C(=O)C(C(F)F)N(C)c2ccccc21
InChIInChI=1S/C11H12F2N2O/c1-14-7-5-3-4-6-8(7)15(2)11(16)9(14)10(12)13/h3-6,9-10H,1-2H3
InChIKeyPWNLBHKOCWIHCE-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.73
Rot. Bonds1

About 3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one

3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one (PubChem CID 164577895) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one
PubChem CID164577895
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one
SMILESCN1C(=O)C(C(F)F)N(C)c2ccccc21
InChIInChI=1S/C11H12F2N2O/c1-14-7-5-3-4-6-8(7)15(2)11(16)9(14)10(12)13/h3-6,9-10H,1-2H3
InChIKeyPWNLBHKOCWIHCE-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one?
The IUPAC name of 3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one (CID 164577895) is 3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one?
The canonical SMILES for 3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one is CN1C(=O)C(C(F)F)N(C)c2ccccc21.
What is the InChIKey of 3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one?
The InChIKey is PWNLBHKOCWIHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-14-7-5-3-4-6-8(7)15(2)11(16)9(14)10(12)13/h3-6,9-10H,1-2H3.
What are the key properties of 3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one?
3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one has a molecular weight of 226.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one is sourced from PubChem (CID 164577895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).