4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile

C14H6ClFN2O — CID 107664801

IUPAC4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2ccc(C#N)cc2Cl)c(F)c1
InChIInChI=1S/C14H6ClFN2O/c15-11-5-9(7-17)1-3-13(11)19-14-4-2-10(8-18)6-12(14)16/h1-6H
InChIKeySZIYIOSCAIPICH-UHFFFAOYSA-N
MW272.67 g/mol
LogP4.01
Rot. Bonds2

About 4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile

4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile (PubChem CID 107664801) has the molecular formula C14H6ClFN2O and a molecular weight of 272.67 g/mol. Its IUPAC name is 4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
PubChem CID107664801
Molecular FormulaC14H6ClFN2O
Molecular Weight272.67 g/mol
Exact Mass272.02
IUPAC Name4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2ccc(C#N)cc2Cl)c(F)c1
InChIInChI=1S/C14H6ClFN2O/c15-11-5-9(7-17)1-3-13(11)19-14-4-2-10(8-18)6-12(14)16/h1-6H
InChIKeySZIYIOSCAIPICH-UHFFFAOYSA-N
XLogP4.01
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.67
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
CID 54880085
4-(4-bromo-2-chlorophenoxy)-3-fluorobenzonitrile
CID 43657480
4-(4-bromo-2-fluorophenoxy)-3-chlorobenzonitrile
CID 55180064
3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766
3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile
CID 11644815
4-(2-chloro-5-nitrophenoxy)-3-fluorobenzonitrile
CID 63992371
4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile
CID 107665713
5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid
CID 61395759
3-fluoro-4-(2-methoxyphenoxy)benzonitrile
CID 43657455
4-amino-3-(2-chloro-4-fluorophenoxy)benzonitrile
CID 104712633
4-(4-chloro-2-nitrophenoxy)-3-fluorobenzonitrile
CID 43657467

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile?
The IUPAC name of 4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile (CID 107664801) is 4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile?
The canonical SMILES for 4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile is N#Cc1ccc(Oc2ccc(C#N)cc2Cl)c(F)c1.
What is the InChIKey of 4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile?
The InChIKey is SZIYIOSCAIPICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClFN2O/c15-11-5-9(7-17)1-3-13(11)19-14-4-2-10(8-18)6-12(14)16/h1-6H.
What are the key properties of 4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile?
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile has a molecular weight of 272.67 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile is sourced from PubChem (CID 107664801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).