5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile

C13H6Cl2FNO — CID 55256693

IUPAC5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H6Cl2FNO/c14-9-1-4-13(8(5-9)7-17)18-10-2-3-12(16)11(15)6-10/h1-6H
InChIKeyNWMCDBOJTPXKQB-UHFFFAOYSA-N
MW282.10 g/mol
LogP4.80
Rot. Bonds2

About 5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile

5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile (PubChem CID 55256693) has the molecular formula C13H6Cl2FNO and a molecular weight of 282.10 g/mol. Its IUPAC name is 5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
PubChem CID55256693
Molecular FormulaC13H6Cl2FNO
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H6Cl2FNO/c14-9-1-4-13(8(5-9)7-17)18-10-2-3-12(16)11(15)6-10/h1-6H
InChIKeyNWMCDBOJTPXKQB-UHFFFAOYSA-N
XLogP4.80
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-chloro-2-(3-chlorophenoxy)benzonitrile
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3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile
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2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile
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2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile
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2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
4-(4-chloro-2-cyanophenoxy)benzamide
CID 62493065
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399
5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
CID 64602337
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CID 43320716
4-chloro-2-(3-chloro-4-nitrophenoxy)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile?
The IUPAC name of 5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile (CID 55256693) is 5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile.
What is the SMILES notation for 5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile?
The canonical SMILES for 5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile is N#Cc1cc(Cl)ccc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile?
The InChIKey is NWMCDBOJTPXKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2FNO/c14-9-1-4-13(8(5-9)7-17)18-10-2-3-12(16)11(15)6-10/h1-6H.
What are the key properties of 5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile?
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile has a molecular weight of 282.10 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile is sourced from PubChem (CID 55256693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).