2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine

C11H10F7N3 — CID 178072959

IUPAC2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine
SMILESFC(F)c1ncc(N2CCC(F)(F)CC2)nc1C(F)(F)F
InChIInChI=1S/C11H10F7N3/c12-9(13)7-8(11(16,17)18)20-6(5-19-7)21-3-1-10(14,15)2-4-21/h5,9H,1-4H2
InChIKeyCHNGHITZKNJRIO-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.67
Rot. Bonds2

About 2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine

2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine (PubChem CID 178072959) has the molecular formula C11H10F7N3 and a molecular weight of 317.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine
PubChem CID178072959
Molecular FormulaC11H10F7N3
Molecular Weight317.21 g/mol
Exact Mass317.08
IUPAC Name2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine
SMILESFC(F)c1ncc(N2CCC(F)(F)CC2)nc1C(F)(F)F
InChIInChI=1S/C11H10F7N3/c12-9(13)7-8(11(16,17)18)20-6(5-19-7)21-3-1-10(14,15)2-4-21/h5,9H,1-4H2
InChIKeyCHNGHITZKNJRIO-UHFFFAOYSA-N
XLogP3.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine?
The IUPAC name of 2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine (CID 178072959) is 2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine is FC(F)c1ncc(N2CCC(F)(F)CC2)nc1C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine?
The InChIKey is CHNGHITZKNJRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F7N3/c12-9(13)7-8(11(16,17)18)20-6(5-19-7)21-3-1-10(14,15)2-4-21/h5,9H,1-4H2.
What are the key properties of 2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine?
2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine has a molecular weight of 317.21 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine is sourced from PubChem (CID 178072959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).