3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one

C12H10F2N2O2 — CID 156594019

IUPAC3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one
SMILESC=CC(F)(F)C1N=c2ccc(OC)cc2=NC1=O
InChIInChI=1S/C12H10F2N2O2/c1-3-12(13,14)10-11(17)16-9-6-7(18-2)4-5-8(9)15-10/h3-6,10H,1H2,2H3
InChIKeyRVOHRFRNYXCHEX-UHFFFAOYSA-N
MW252.22 g/mol
LogP0.66
Rot. Bonds3

About 3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one

3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one (PubChem CID 156594019) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one
PubChem CID156594019
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one
SMILESC=CC(F)(F)C1N=c2ccc(OC)cc2=NC1=O
InChIInChI=1S/C12H10F2N2O2/c1-3-12(13,14)10-11(17)16-9-6-7(18-2)4-5-8(9)15-10/h3-6,10H,1H2,2H3
InChIKeyRVOHRFRNYXCHEX-UHFFFAOYSA-N
XLogP0.66
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2(1H)-Quinoxalinone, 6-methoxy-
CID 72206608
7-methoxy-3-methyl-4aH-quinoxalin-2-one
CID 76851616

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one?
The IUPAC name of 3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one (CID 156594019) is 3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one.
What is the SMILES notation for 3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one?
The canonical SMILES for 3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one is C=CC(F)(F)C1N=c2ccc(OC)cc2=NC1=O.
What is the InChIKey of 3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one?
The InChIKey is RVOHRFRNYXCHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-3-12(13,14)10-11(17)16-9-6-7(18-2)4-5-8(9)15-10/h3-6,10H,1H2,2H3.
What are the key properties of 3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one?
3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one has a molecular weight of 252.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroprop-2-enyl)-7-methoxy-3H-quinoxalin-2-one is sourced from PubChem (CID 156594019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).