2-(1,1-difluorobutyl)-5-methylpyrazine

C9H12F2N2 — CID 70343919

IUPAC2-(1,1-difluorobutyl)-5-methylpyrazine
SMILESCCCC(F)(F)c1cnc(C)cn1
InChIInChI=1S/C9H12F2N2/c1-3-4-9(10,11)8-6-12-7(2)5-13-8/h5-6H,3-4H2,1-2H3
InChIKeyVQFJVSINBDXDRM-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.68
Rot. Bonds3

About 2-(1,1-difluorobutyl)-5-methylpyrazine

2-(1,1-difluorobutyl)-5-methylpyrazine (PubChem CID 70343919) has the molecular formula C9H12F2N2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(1,1-difluorobutyl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(1,1-difluorobutyl)-5-methylpyrazine
PubChem CID70343919
Molecular FormulaC9H12F2N2
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(1,1-difluorobutyl)-5-methylpyrazine
SMILESCCCC(F)(F)c1cnc(C)cn1
InChIInChI=1S/C9H12F2N2/c1-3-4-9(10,11)8-6-12-7(2)5-13-8/h5-6H,3-4H2,1-2H3
InChIKeyVQFJVSINBDXDRM-UHFFFAOYSA-N
XLogP2.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluorobutyl)-5-methylpyrazine?
The IUPAC name of 2-(1,1-difluorobutyl)-5-methylpyrazine (CID 70343919) is 2-(1,1-difluorobutyl)-5-methylpyrazine.
What is the SMILES notation for 2-(1,1-difluorobutyl)-5-methylpyrazine?
The canonical SMILES for 2-(1,1-difluorobutyl)-5-methylpyrazine is CCCC(F)(F)c1cnc(C)cn1.
What is the InChIKey of 2-(1,1-difluorobutyl)-5-methylpyrazine?
The InChIKey is VQFJVSINBDXDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-3-4-9(10,11)8-6-12-7(2)5-13-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(1,1-difluorobutyl)-5-methylpyrazine?
2-(1,1-difluorobutyl)-5-methylpyrazine has a molecular weight of 186.21 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluorobutyl)-5-methylpyrazine is sourced from PubChem (CID 70343919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).