2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine

C23H9F8N — CID 133089036

IUPAC2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine
SMILESFc1cccc(-c2nc(-c3cccc(F)c3F)c(F)c(-c3cccc(F)c3F)c2F)c1F
InChIInChI=1S/C23H9F8N/c24-13-7-1-4-10(17(13)27)16-20(30)22(11-5-2-8-14(25)18(11)28)32-23(21(16)31)12-6-3-9-15(26)19(12)29/h1-9H
InChIKeyLRCGWCZLAYBPLV-UHFFFAOYSA-N
MW451.32 g/mol
LogP7.20
Rot. Bonds3

About 2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine

2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine (PubChem CID 133089036) has the molecular formula C23H9F8N and a molecular weight of 451.32 g/mol. Its IUPAC name is 2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine.

Molecular Properties

Compound Name2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine
PubChem CID133089036
Molecular FormulaC23H9F8N
Molecular Weight451.32 g/mol
Exact Mass451.06
IUPAC Name2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine
SMILESFc1cccc(-c2nc(-c3cccc(F)c3F)c(F)c(-c3cccc(F)c3F)c2F)c1F
InChIInChI=1S/C23H9F8N/c24-13-7-1-4-10(17(13)27)16-20(30)22(11-5-2-8-14(25)18(11)28)32-23(21(16)31)12-6-3-9-15(26)19(12)29/h1-9H
InChIKeyLRCGWCZLAYBPLV-UHFFFAOYSA-N
XLogP7.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.32
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
CID 134620923
1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene
CID 134627869
5-chloro-2,3-bis(2,3-difluorophenyl)pyridine
CID 133087890
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056
1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 157170971
2,6-bis(2,3-difluorophenyl)-4-fluoropyridine
CID 133088897
6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 59226502
4-(2,3-difluorophenyl)-3-fluoropyridine
CID 118801718
2,3,5,6-tetrafluoro-4-(2-fluorophenyl)pyridine
CID 46313127
2-(2,3-difluorophenyl)pyrimidine
CID 22717518
[2,6-bis(2,3-difluorophenyl)-3-pyridinyl]methanol
CID 133093712

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine?
The IUPAC name of 2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine (CID 133089036) is 2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine.
What is the SMILES notation for 2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine?
The canonical SMILES for 2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine is Fc1cccc(-c2nc(-c3cccc(F)c3F)c(F)c(-c3cccc(F)c3F)c2F)c1F.
What is the InChIKey of 2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine?
The InChIKey is LRCGWCZLAYBPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H9F8N/c24-13-7-1-4-10(17(13)27)16-20(30)22(11-5-2-8-14(25)18(11)28)32-23(21(16)31)12-6-3-9-15(26)19(12)29/h1-9H.
What are the key properties of 2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine?
2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine has a molecular weight of 451.32 g/mol, XLogP of 7.20, 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(2,3-difluorophenyl)-3,5-difluoropyridine is sourced from PubChem (CID 133089036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).