4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile

C24H8F6N2O2 — CID 175999058

IUPAC4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2c(F)c(F)c3c(F)c(Oc4ccc(C#N)cc4)c(F)c(F)c3c2F)cc1
InChIInChI=1S/C24H8F6N2O2/c25-17-16-15(19(27)23(21(17)29)33-13-5-1-11(9-31)2-6-13)18(26)22(30)24(20(16)28)34-14-7-3-12(10-32)4-8-14/h1-8H
InChIKeyRMNMSNSNFCBGDH-UHFFFAOYSA-N
MW470.33 g/mol
LogP7.00
Rot. Bonds4

About 4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile

4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile (PubChem CID 175999058) has the molecular formula C24H8F6N2O2 and a molecular weight of 470.33 g/mol. Its IUPAC name is 4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile
PubChem CID175999058
Molecular FormulaC24H8F6N2O2
Molecular Weight470.33 g/mol
Exact Mass470.05
IUPAC Name4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2c(F)c(F)c3c(F)c(Oc4ccc(C#N)cc4)c(F)c(F)c3c2F)cc1
InChIInChI=1S/C24H8F6N2O2/c25-17-16-15(19(27)23(21(17)29)33-13-5-1-11(9-31)2-6-13)18(26)22(30)24(20(16)28)34-14-7-3-12(10-32)4-8-14/h1-8H
InChIKeyRMNMSNSNFCBGDH-UHFFFAOYSA-N
XLogP7.00
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.33
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[2,3,5,6-tetrafluoro-4-(4-isocyanophenoxy)phenoxy]benzonitrile
CID 21178522
4-(4,6-diamino-3-chloro-2-fluorophenoxy)benzonitrile
CID 103553641
4-(3-fluoro-4-methylphenoxy)benzonitrile
CID 107169205
4-(2-acetyl-6-fluorophenoxy)benzonitrile
CID 114058519
4-methoxy(13C)benzonitrile
CID 175991125
1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
CID 54083625
4-[4-(methylamino)phenoxy]benzonitrile
CID 15622757
4-[4-[6-(2,3,4,5,6-pentafluorophenoxy)hexoxy]phenyl]benzonitrile
CID 86004959
4-(2,5-difluorophenoxy)benzonitrile
CID 63269334
argon;4-(4-chlorophenoxy)benzonitrile
CID 158538207
azane;benzene-1,4-dicarbonitrile
CID 174336566
1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
CID 679714

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile?
The IUPAC name of 4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile (CID 175999058) is 4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile.
What is the SMILES notation for 4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile?
The canonical SMILES for 4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile is N#Cc1ccc(Oc2c(F)c(F)c3c(F)c(Oc4ccc(C#N)cc4)c(F)c(F)c3c2F)cc1.
What is the InChIKey of 4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile?
The InChIKey is RMNMSNSNFCBGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H8F6N2O2/c25-17-16-15(19(27)23(21(17)29)33-13-5-1-11(9-31)2-6-13)18(26)22(30)24(20(16)28)34-14-7-3-12(10-32)4-8-14/h1-8H.
What are the key properties of 4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile?
4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile has a molecular weight of 470.33 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile is sourced from PubChem (CID 175999058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).