2-(1,1-difluoropropyl)-5-ethenylpyrazine

C9H10F2N2 — CID 145255329

IUPAC2-(1,1-difluoropropyl)-5-ethenylpyrazine
SMILESC=Cc1cnc(C(F)(F)CC)cn1
InChIInChI=1S/C9H10F2N2/c1-3-7-5-13-8(6-12-7)9(10,11)4-2/h3,5-6H,1,4H2,2H3
InChIKeyWPWBNLMQAOLTMX-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.62
Rot. Bonds3

About 2-(1,1-difluoropropyl)-5-ethenylpyrazine

2-(1,1-difluoropropyl)-5-ethenylpyrazine (PubChem CID 145255329) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(1,1-difluoropropyl)-5-ethenylpyrazine.

Molecular Properties

Compound Name2-(1,1-difluoropropyl)-5-ethenylpyrazine
PubChem CID145255329
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(1,1-difluoropropyl)-5-ethenylpyrazine
SMILESC=Cc1cnc(C(F)(F)CC)cn1
InChIInChI=1S/C9H10F2N2/c1-3-7-5-13-8(6-12-7)9(10,11)4-2/h3,5-6H,1,4H2,2H3
InChIKeyWPWBNLMQAOLTMX-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropyl)-5-ethenylpyrazine?
The IUPAC name of 2-(1,1-difluoropropyl)-5-ethenylpyrazine (CID 145255329) is 2-(1,1-difluoropropyl)-5-ethenylpyrazine.
What is the SMILES notation for 2-(1,1-difluoropropyl)-5-ethenylpyrazine?
The canonical SMILES for 2-(1,1-difluoropropyl)-5-ethenylpyrazine is C=Cc1cnc(C(F)(F)CC)cn1.
What is the InChIKey of 2-(1,1-difluoropropyl)-5-ethenylpyrazine?
The InChIKey is WPWBNLMQAOLTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2/c1-3-7-5-13-8(6-12-7)9(10,11)4-2/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-(1,1-difluoropropyl)-5-ethenylpyrazine?
2-(1,1-difluoropropyl)-5-ethenylpyrazine has a molecular weight of 184.19 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropyl)-5-ethenylpyrazine is sourced from PubChem (CID 145255329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).