2,4,6-tris(difluoromethyl)pyridine

C8H5F6N — CID 87506627

IUPAC2,4,6-tris(difluoromethyl)pyridine
SMILESFC(F)c1cc(C(F)F)nc(C(F)F)c1
InChIInChI=1S/C8H5F6N/c9-6(10)3-1-4(7(11)12)15-5(2-3)8(13)14/h1-2,6-8H
InChIKeyIURSDKUJPDQFKQ-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.89
Rot. Bonds3

About 2,4,6-tris(difluoromethyl)pyridine

2,4,6-tris(difluoromethyl)pyridine (PubChem CID 87506627) has the molecular formula C8H5F6N and a molecular weight of 229.12 g/mol. Its IUPAC name is 2,4,6-tris(difluoromethyl)pyridine.

Molecular Properties

Compound Name2,4,6-tris(difluoromethyl)pyridine
PubChem CID87506627
Molecular FormulaC8H5F6N
Molecular Weight229.12 g/mol
Exact Mass229.03
IUPAC Name2,4,6-tris(difluoromethyl)pyridine
SMILESFC(F)c1cc(C(F)F)nc(C(F)F)c1
InChIInChI=1S/C8H5F6N/c9-6(10)3-1-4(7(11)12)15-5(2-3)8(13)14/h1-2,6-8H
InChIKeyIURSDKUJPDQFKQ-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(difluoromethyl)pyridine?
The IUPAC name of 2,4,6-tris(difluoromethyl)pyridine (CID 87506627) is 2,4,6-tris(difluoromethyl)pyridine.
What is the SMILES notation for 2,4,6-tris(difluoromethyl)pyridine?
The canonical SMILES for 2,4,6-tris(difluoromethyl)pyridine is FC(F)c1cc(C(F)F)nc(C(F)F)c1.
What is the InChIKey of 2,4,6-tris(difluoromethyl)pyridine?
The InChIKey is IURSDKUJPDQFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6N/c9-6(10)3-1-4(7(11)12)15-5(2-3)8(13)14/h1-2,6-8H.
What are the key properties of 2,4,6-tris(difluoromethyl)pyridine?
2,4,6-tris(difluoromethyl)pyridine has a molecular weight of 229.12 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(difluoromethyl)pyridine is sourced from PubChem (CID 87506627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).