3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile

C14H7FN2O — CID 19895093

IUPAC3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(Oc2cccc(F)c2)c1C#N
InChIInChI=1S/C14H7FN2O/c15-11-4-2-5-12(7-11)18-14-6-1-3-10(8-16)13(14)9-17/h1-7H
InChIKeyNSYLJWWDKIBMNA-UHFFFAOYSA-N
MW238.22 g/mol
LogP3.36
Rot. Bonds2

About 3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile

3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile (PubChem CID 19895093) has the molecular formula C14H7FN2O and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile
PubChem CID19895093
Molecular FormulaC14H7FN2O
Molecular Weight238.22 g/mol
Exact Mass238.05
IUPAC Name3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(Oc2cccc(F)c2)c1C#N
InChIInChI=1S/C14H7FN2O/c15-11-4-2-5-12(7-11)18-14-6-1-3-10(8-16)13(14)9-17/h1-7H
InChIKeyNSYLJWWDKIBMNA-UHFFFAOYSA-N
XLogP3.36
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-phenoxyphenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19895074
3-(2-phenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667741
3-[3-(1,1,2,2-tetrafluoroethoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 139713966
3-(3,5-dimethylphenoxy)benzene-1,2-dicarbonitrile
CID 68696975
3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19922197
7-oxabicyclo[2.2.1]hepta-1,3,5-triene;3-[3-(trifluoromethyl)phenoxy]benzene-1,2-dicarbonitrile
CID 19895084
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
3-(3-pentadecylphenoxy)benzene-1,2-dicarbonitrile
CID 18407533
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
3-(2-cyano-3-fluorophenoxy)benzoic acid
CID 63943454
2,6-diphenoxybenzonitrile
CID 71353957
3-(3-fluorophenoxy)pyridazine-4-carbonitrile
CID 80510198

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile (CID 19895093) is 3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile is N#Cc1cccc(Oc2cccc(F)c2)c1C#N.
What is the InChIKey of 3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile?
The InChIKey is NSYLJWWDKIBMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FN2O/c15-11-4-2-5-12(7-11)18-14-6-1-3-10(8-16)13(14)9-17/h1-7H.
What are the key properties of 3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile?
3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile has a molecular weight of 238.22 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 19895093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).