7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline

C13H12F2N2 — CID 69067678

IUPAC7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline
SMILESCC1(C)Nc2cc(F)c(F)cc2-n2cccc21
InChIInChI=1S/C13H12F2N2/c1-13(2)12-4-3-5-17(12)11-7-9(15)8(14)6-10(11)16-13/h3-7,16H,1-2H3
InChIKeyHHKMZSWTIYECDB-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.42
Rot. Bonds

About 7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline

7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline (PubChem CID 69067678) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline
PubChem CID69067678
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline
SMILESCC1(C)Nc2cc(F)c(F)cc2-n2cccc21
InChIInChI=1S/C13H12F2N2/c1-13(2)12-4-3-5-17(12)11-7-9(15)8(14)6-10(11)16-13/h3-7,16H,1-2H3
InChIKeyHHKMZSWTIYECDB-UHFFFAOYSA-N
XLogP3.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline (CID 69067678) is 7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline is CC1(C)Nc2cc(F)c(F)cc2-n2cccc21.
What is the InChIKey of 7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline?
The InChIKey is HHKMZSWTIYECDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-13(2)12-4-3-5-17(12)11-7-9(15)8(14)6-10(11)16-13/h3-7,16H,1-2H3.
What are the key properties of 7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline?
7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline has a molecular weight of 234.25 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 69067678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).