ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate

C12H10F2N2O2 — CID 91927200

IUPACethyl 3-(difluoromethyl)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1C(F)F
InChIInChI=1S/C12H10F2N2O2/c1-2-18-12(17)10-9(11(13)14)15-7-5-3-4-6-8(7)16-10/h3-6,11H,2H2,1H3
InChIKeyNFSNCBBFATYVSJ-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.74
Rot. Bonds3

About ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate

ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate (PubChem CID 91927200) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethyl)quinoxaline-2-carboxylate
PubChem CID91927200
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Nameethyl 3-(difluoromethyl)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1C(F)F
InChIInChI=1S/C12H10F2N2O2/c1-2-18-12(17)10-9(11(13)14)15-7-5-3-4-6-8(7)16-10/h3-6,11H,2H2,1H3
InChIKeyNFSNCBBFATYVSJ-UHFFFAOYSA-N
XLogP2.74
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate (CID 91927200) is ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2nc1C(F)F.
What is the InChIKey of ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate?
The InChIKey is NFSNCBBFATYVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-2-18-12(17)10-9(11(13)14)15-7-5-3-4-6-8(7)16-10/h3-6,11H,2H2,1H3.
What are the key properties of ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate?
ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate has a molecular weight of 252.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate is sourced from PubChem (CID 91927200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).