6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one

C11H8F2N2O — CID 115510110

IUPAC6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one
SMILESC#CCN1CC(=O)Nc2c(F)cc(F)cc21
InChIInChI=1S/C11H8F2N2O/c1-2-3-15-6-10(16)14-11-8(13)4-7(12)5-9(11)15/h1,4-5H,3,6H2,(H,14,16)
InChIKeyTWBWAUOFUJETHW-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.36
Rot. Bonds1

About 6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one

6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one (PubChem CID 115510110) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one
PubChem CID115510110
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one
SMILESC#CCN1CC(=O)Nc2c(F)cc(F)cc21
InChIInChI=1S/C11H8F2N2O/c1-2-3-15-6-10(16)14-11-8(13)4-7(12)5-9(11)15/h1,4-5H,3,6H2,(H,14,16)
InChIKeyTWBWAUOFUJETHW-UHFFFAOYSA-N
XLogP1.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one (CID 115510110) is 6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one is C#CCN1CC(=O)Nc2c(F)cc(F)cc21.
What is the InChIKey of 6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is TWBWAUOFUJETHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c1-2-3-15-6-10(16)14-11-8(13)4-7(12)5-9(11)15/h1,4-5H,3,6H2,(H,14,16).
What are the key properties of 6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one?
6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 222.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 115510110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).