3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile

C20H8F8N2O — CID 18359719

IUPAC3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C20H8F8N2O/c21-15-14(9-29)16(22)18(31-13-3-1-2-12(8-13)20(26,27)28)30-17(15)10-4-6-11(7-5-10)19(23,24)25/h1-8H
InChIKeyCHUKRUXQYGYZSJ-UHFFFAOYSA-N
MW444.28 g/mol
LogP6.73
Rot. Bonds3

About 3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile

3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile (PubChem CID 18359719) has the molecular formula C20H8F8N2O and a molecular weight of 444.28 g/mol. Its IUPAC name is 3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile
PubChem CID18359719
Molecular FormulaC20H8F8N2O
Molecular Weight444.28 g/mol
Exact Mass444.05
IUPAC Name3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C20H8F8N2O/c21-15-14(9-29)16(22)18(31-13-3-1-2-12(8-13)20(26,27)28)30-17(15)10-4-6-11(7-5-10)19(23,24)25/h1-8H
InChIKeyCHUKRUXQYGYZSJ-UHFFFAOYSA-N
XLogP6.73
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.28
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile?
The IUPAC name of 3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile (CID 18359719) is 3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile is N#Cc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1F.
What is the InChIKey of 3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile?
The InChIKey is CHUKRUXQYGYZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8F8N2O/c21-15-14(9-29)16(22)18(31-13-3-1-2-12(8-13)20(26,27)28)30-17(15)10-4-6-11(7-5-10)19(23,24)25/h1-8H.
What are the key properties of 3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile?
3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile has a molecular weight of 444.28 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 18359719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).