2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine

C8H7F5N2 — CID 70343798

IUPAC2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine
SMILESCc1cnc(C(F)(F)CC(F)(F)F)cn1
InChIInChI=1S/C8H7F5N2/c1-5-2-15-6(3-14-5)7(9,10)4-8(11,12)13/h2-3H,4H2,1H3
InChIKeyCRTNDKRFQBUCED-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.83
Rot. Bonds2

About 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine

2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine (PubChem CID 70343798) has the molecular formula C8H7F5N2 and a molecular weight of 226.15 g/mol. Its IUPAC name is 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine.

Molecular Properties

Compound Name2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine
PubChem CID70343798
Molecular FormulaC8H7F5N2
Molecular Weight226.15 g/mol
Exact Mass226.05
IUPAC Name2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine
SMILESCc1cnc(C(F)(F)CC(F)(F)F)cn1
InChIInChI=1S/C8H7F5N2/c1-5-2-15-6(3-14-5)7(9,10)4-8(11,12)13/h2-3H,4H2,1H3
InChIKeyCRTNDKRFQBUCED-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine?
The IUPAC name of 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine (CID 70343798) is 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine.
What is the SMILES notation for 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine?
The canonical SMILES for 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine is Cc1cnc(C(F)(F)CC(F)(F)F)cn1.
What is the InChIKey of 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine?
The InChIKey is CRTNDKRFQBUCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2/c1-5-2-15-6(3-14-5)7(9,10)4-8(11,12)13/h2-3H,4H2,1H3.
What are the key properties of 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine?
2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine has a molecular weight of 226.15 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)pyrazine is sourced from PubChem (CID 70343798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).