2-(4,4-difluorobut-3-enyl)-5-methylpyrazine

C9H10F2N2 — CID 70343799

IUPAC2-(4,4-difluorobut-3-enyl)-5-methylpyrazine
SMILESCc1cnc(CCC=C(F)F)cn1
InChIInChI=1S/C9H10F2N2/c1-7-5-13-8(6-12-7)3-2-4-9(10)11/h4-6H,2-3H2,1H3
InChIKeyAOCQXQYVVPZDOM-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.50
Rot. Bonds3

About 2-(4,4-difluorobut-3-enyl)-5-methylpyrazine

2-(4,4-difluorobut-3-enyl)-5-methylpyrazine (PubChem CID 70343799) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(4,4-difluorobut-3-enyl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(4,4-difluorobut-3-enyl)-5-methylpyrazine
PubChem CID70343799
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(4,4-difluorobut-3-enyl)-5-methylpyrazine
SMILESCc1cnc(CCC=C(F)F)cn1
InChIInChI=1S/C9H10F2N2/c1-7-5-13-8(6-12-7)3-2-4-9(10)11/h4-6H,2-3H2,1H3
InChIKeyAOCQXQYVVPZDOM-UHFFFAOYSA-N
XLogP2.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorobut-3-enyl)-5-methylpyrazine?
The IUPAC name of 2-(4,4-difluorobut-3-enyl)-5-methylpyrazine (CID 70343799) is 2-(4,4-difluorobut-3-enyl)-5-methylpyrazine.
What is the SMILES notation for 2-(4,4-difluorobut-3-enyl)-5-methylpyrazine?
The canonical SMILES for 2-(4,4-difluorobut-3-enyl)-5-methylpyrazine is Cc1cnc(CCC=C(F)F)cn1.
What is the InChIKey of 2-(4,4-difluorobut-3-enyl)-5-methylpyrazine?
The InChIKey is AOCQXQYVVPZDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2/c1-7-5-13-8(6-12-7)3-2-4-9(10)11/h4-6H,2-3H2,1H3.
What are the key properties of 2-(4,4-difluorobut-3-enyl)-5-methylpyrazine?
2-(4,4-difluorobut-3-enyl)-5-methylpyrazine has a molecular weight of 184.19 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorobut-3-enyl)-5-methylpyrazine is sourced from PubChem (CID 70343799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).