4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile

C20H10F4N2O2 — CID 90052125

IUPAC4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccc(C(F)(F)C(=O)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/C20H10F4N2O2/c21-13-3-7-16(17(22)9-13)19(27)20(23,24)18-8-6-15(11-26-18)28-14-4-1-12(10-25)2-5-14/h1-9,11H
InChIKeySWBZRDVTDARPHO-UHFFFAOYSA-N
MW386.30 g/mol
LogP5.00
Rot. Bonds5

About 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile

4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile (PubChem CID 90052125) has the molecular formula C20H10F4N2O2 and a molecular weight of 386.30 g/mol. Its IUPAC name is 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile
PubChem CID90052125
Molecular FormulaC20H10F4N2O2
Molecular Weight386.30 g/mol
Exact Mass386.07
IUPAC Name4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccc(C(F)(F)C(=O)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/C20H10F4N2O2/c21-13-3-7-16(17(22)9-13)19(27)20(23,24)18-8-6-15(11-26-18)28-14-4-1-12(10-25)2-5-14/h1-9,11H
InChIKeySWBZRDVTDARPHO-UHFFFAOYSA-N
XLogP5.00
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile (CID 90052125) is 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile is N#Cc1ccc(Oc2ccc(C(F)(F)C(=O)c3ccc(F)cc3F)nc2)cc1.
What is the InChIKey of 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile?
The InChIKey is SWBZRDVTDARPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F4N2O2/c21-13-3-7-16(17(22)9-13)19(27)20(23,24)18-8-6-15(11-26-18)28-14-4-1-12(10-25)2-5-14/h1-9,11H.
What are the key properties of 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile?
4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile has a molecular weight of 386.30 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 90052125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).