2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile

C20H10F2N2O2 — CID 71335990

IUPAC2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile
SMILESN#Cc1c(F)c(C#N)c(Oc2ccccc2)c(F)c1Oc1ccccc1
InChIInChI=1S/C20H10F2N2O2/c21-17-15(11-23)19(25-13-7-3-1-4-8-13)18(22)20(16(17)12-24)26-14-9-5-2-6-10-14/h1-10H
InChIKeyFKHDKUADAUBUNB-UHFFFAOYSA-N
MW348.31 g/mol
LogP5.29
Rot. Bonds4

About 2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile

2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile (PubChem CID 71335990) has the molecular formula C20H10F2N2O2 and a molecular weight of 348.31 g/mol. Its IUPAC name is 2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile
PubChem CID71335990
Molecular FormulaC20H10F2N2O2
Molecular Weight348.31 g/mol
Exact Mass348.07
IUPAC Name2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile
SMILESN#Cc1c(F)c(C#N)c(Oc2ccccc2)c(F)c1Oc1ccccc1
InChIInChI=1S/C20H10F2N2O2/c21-17-15(11-23)19(25-13-7-3-1-4-8-13)18(22)20(16(17)12-24)26-14-9-5-2-6-10-14/h1-10H
InChIKeyFKHDKUADAUBUNB-UHFFFAOYSA-N
XLogP5.29
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.31
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile?
The IUPAC name of 2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile (CID 71335990) is 2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile?
The canonical SMILES for 2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile is N#Cc1c(F)c(C#N)c(Oc2ccccc2)c(F)c1Oc1ccccc1.
What is the InChIKey of 2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile?
The InChIKey is FKHDKUADAUBUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F2N2O2/c21-17-15(11-23)19(25-13-7-3-1-4-8-13)18(22)20(16(17)12-24)26-14-9-5-2-6-10-14/h1-10H.
What are the key properties of 2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile?
2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile has a molecular weight of 348.31 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4,6-diphenoxybenzene-1,3-dicarbonitrile is sourced from PubChem (CID 71335990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).