4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile

C14H6Cl2F3NO — CID 43320716

IUPAC4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2cc(Cl)ccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H6Cl2F3NO/c15-9-2-4-12(16)13(5-9)21-10-3-1-8(7-20)11(6-10)14(17,18)19/h1-6H
InChIKeyONPQXWJBRMSRHL-UHFFFAOYSA-N
MW332.11 g/mol
LogP5.68
Rot. Bonds2

About 4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile

4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile (PubChem CID 43320716) has the molecular formula C14H6Cl2F3NO and a molecular weight of 332.11 g/mol. Its IUPAC name is 4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile
PubChem CID43320716
Molecular FormulaC14H6Cl2F3NO
Molecular Weight332.11 g/mol
Exact Mass330.98
IUPAC Name4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2cc(Cl)ccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H6Cl2F3NO/c15-9-2-4-12(16)13(5-9)21-10-3-1-8(7-20)11(6-10)14(17,18)19/h1-6H
InChIKeyONPQXWJBRMSRHL-UHFFFAOYSA-N
XLogP5.68
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.11
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-5-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43364396
2-amino-5-(2,5-dichlorophenoxy)benzonitrile
CID 115499728
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43138559
2-chloro-4-(2,4-dichlorophenoxy)benzonitrile
CID 21429570
4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 107658030
4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile
CID 43363934
3-(2,5-dichlorophenoxy)benzonitrile
CID 86153533
4-(3,4-dimethylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320722
1-[4-chloro-3-(4-cyano-3-methylphenoxy)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 126674717
4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propoxy]-2-(trifluoromethyl)benzonitrile
CID 11546106

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile (CID 43320716) is 4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(Oc2cc(Cl)ccc2Cl)cc1C(F)(F)F.
What is the InChIKey of 4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile?
The InChIKey is ONPQXWJBRMSRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F3NO/c15-9-2-4-12(16)13(5-9)21-10-3-1-8(7-20)11(6-10)14(17,18)19/h1-6H.
What are the key properties of 4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile?
4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile has a molecular weight of 332.11 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43320716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).