5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one

C10H7F5N2O — CID 79788978

IUPAC5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one
SMILESCC1(C(F)(F)F)Nc2c(ccc(F)c2F)NC1=O
InChIInChI=1S/C10H7F5N2O/c1-9(10(13,14)15)8(18)16-5-3-2-4(11)6(12)7(5)17-9/h2-3,17H,1H3,(H,16,18)
InChIKeyIKISSAPGDUDXGV-UHFFFAOYSA-N
MW266.17 g/mol
LogP2.65
Rot. Bonds

About 5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one

5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one (PubChem CID 79788978) has the molecular formula C10H7F5N2O and a molecular weight of 266.17 g/mol. Its IUPAC name is 5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one
PubChem CID79788978
Molecular FormulaC10H7F5N2O
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one
SMILESCC1(C(F)(F)F)Nc2c(ccc(F)c2F)NC1=O
InChIInChI=1S/C10H7F5N2O/c1-9(10(13,14)15)8(18)16-5-3-2-4(11)6(12)7(5)17-9/h2-3,17H,1H3,(H,16,18)
InChIKeyIKISSAPGDUDXGV-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one?
The IUPAC name of 5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one (CID 79788978) is 5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one?
The canonical SMILES for 5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one is CC1(C(F)(F)F)Nc2c(ccc(F)c2F)NC1=O.
What is the InChIKey of 5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one?
The InChIKey is IKISSAPGDUDXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O/c1-9(10(13,14)15)8(18)16-5-3-2-4(11)6(12)7(5)17-9/h2-3,17H,1H3,(H,16,18).
What are the key properties of 5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one?
5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one has a molecular weight of 266.17 g/mol, XLogP of 2.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3-methyl-3-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 79788978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).