4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile

C21H13FN2O2 — CID 15667765

IUPAC4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2ccc(Oc3ccc(CF)cc3)cc2)cc1C#N
InChIInChI=1S/C21H13FN2O2/c22-12-15-1-4-18(5-2-15)25-19-7-9-20(10-8-19)26-21-6-3-16(13-23)17(11-21)14-24/h1-11H,12H2
InChIKeyKHGMPVAREWFVCJ-UHFFFAOYSA-N
MW344.35 g/mol
LogP5.48
Rot. Bonds5

About 4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile

4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile (PubChem CID 15667765) has the molecular formula C21H13FN2O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile
PubChem CID15667765
Molecular FormulaC21H13FN2O2
Molecular Weight344.35 g/mol
Exact Mass344.10
IUPAC Name4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2ccc(Oc3ccc(CF)cc3)cc2)cc1C#N
InChIInChI=1S/C21H13FN2O2/c22-12-15-1-4-18(5-2-15)25-19-7-9-20(10-8-19)26-21-6-3-16(13-23)17(11-21)14-24/h1-11H,12H2
InChIKeyKHGMPVAREWFVCJ-UHFFFAOYSA-N
XLogP5.48
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.35
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,5-bis(3,4-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 71363047
2-[4-(3,4-dicyanophenoxy)phenyl]acetamide
CID 118858046
4-(3,5-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667751
4-[4-[4-(3,4-dicyanophenoxy)benzoyl]phenoxy]benzene-1,2-dicarbonitrile
CID 2170646
4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile
CID 746627
4-[4-bis[4-(3,4-dicyanophenoxy)phenyl]phosphorylphenoxy]benzene-1,2-dicarbonitrile
CID 138615858
4-[4-[1,1-bis[4-(3,4-dicyanophenoxy)phenyl]ethyl]phenoxy]benzene-1,2-dicarbonitrile
CID 102106236
4-(3,4-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667750
4-[4-[4-[(3,4-diisocyanophenyl)methyl]phenyl]phenoxy]benzene-1,2-dicarbonitrile
CID 158070713
4-[4-[bis(4-aminophenyl)methyl]phenoxy]benzene-1,2-dicarbonitrile
CID 71379490
4-(4-bromo-3-methylphenoxy)benzene-1,2-dicarbonitrile
CID 173062363
4-(3,4-dicyanophenoxy)-N-[4-[[4-(3,4-dicyanophenoxy)benzoyl]amino]phenyl]benzamide
CID 10886540

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile (CID 15667765) is 4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile is N#Cc1ccc(Oc2ccc(Oc3ccc(CF)cc3)cc2)cc1C#N.
What is the InChIKey of 4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile?
The InChIKey is KHGMPVAREWFVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O2/c22-12-15-1-4-18(5-2-15)25-19-7-9-20(10-8-19)26-21-6-3-16(13-23)17(11-21)14-24/h1-11H,12H2.
What are the key properties of 4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile?
4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile has a molecular weight of 344.35 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 15667765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).