2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine

C8H10F2N2 — CID 123762657

IUPAC2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine
SMILESCC=C1NC(F)=C(F)NC1=CC
InChIInChI=1S/C8H10F2N2/c1-3-5-6(4-2)12-8(10)7(9)11-5/h3-4,11-12H,1-2H3
InChIKeyUNDJNWXIVQLVDT-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.05
Rot. Bonds

About 2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine

2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine (PubChem CID 123762657) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine.

Molecular Properties

Compound Name2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine
PubChem CID123762657
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine
SMILESCC=C1NC(F)=C(F)NC1=CC
InChIInChI=1S/C8H10F2N2/c1-3-5-6(4-2)12-8(10)7(9)11-5/h3-4,11-12H,1-2H3
InChIKeyUNDJNWXIVQLVDT-UHFFFAOYSA-N
XLogP2.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine?
The IUPAC name of 2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine (CID 123762657) is 2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine.
What is the SMILES notation for 2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine?
The canonical SMILES for 2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine is CC=C1NC(F)=C(F)NC1=CC.
What is the InChIKey of 2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine?
The InChIKey is UNDJNWXIVQLVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c1-3-5-6(4-2)12-8(10)7(9)11-5/h3-4,11-12H,1-2H3.
What are the key properties of 2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine?
2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine has a molecular weight of 172.18 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(ethylidene)-5,6-difluoro-1,4-dihydropyrazine is sourced from PubChem (CID 123762657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).