2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile

C15H11ClFNO — CID 79513408

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile
SMILESCc1cc(Cl)cc(C)c1Oc1cccc(F)c1C#N
InChIInChI=1S/C15H11ClFNO/c1-9-6-11(16)7-10(2)15(9)19-14-5-3-4-13(17)12(14)8-18/h3-7H,1-2H3
InChIKeyLONDIFCETRZBEK-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.76
Rot. Bonds2

About 2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile

2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile (PubChem CID 79513408) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile
PubChem CID79513408
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile
SMILESCc1cc(Cl)cc(C)c1Oc1cccc(F)c1C#N
InChIInChI=1S/C15H11ClFNO/c1-9-6-11(16)7-10(2)15(9)19-14-5-3-4-13(17)12(14)8-18/h3-7H,1-2H3
InChIKeyLONDIFCETRZBEK-UHFFFAOYSA-N
XLogP4.76
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-6-methylphenoxy)-6-fluorobenzonitrile
CID 113333829
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78944675
5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile
CID 63510537
2-[2-(chloromethyl)-6-fluorophenoxy]-6-fluorobenzonitrile
CID 114068006
2-[(5-chloro-2-pyridinyl)oxy]-6-fluorobenzonitrile
CID 66234121
2-[5-chloro-2-(hydroxymethyl)phenoxy]-6-fluorobenzonitrile
CID 114846109
2-(2,4-dichlorophenoxy)-6-methylbenzonitrile
CID 21429560
2-[4-(bromomethyl)-2-methylphenoxy]-6-fluorobenzonitrile
CID 107087791
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile
CID 81059931
2-(2,5-dimethyl-4-nitrophenoxy)-6-fluorobenzonitrile
CID 78916032

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile (CID 79513408) is 2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile is Cc1cc(Cl)cc(C)c1Oc1cccc(F)c1C#N.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile?
The InChIKey is LONDIFCETRZBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c1-9-6-11(16)7-10(2)15(9)19-14-5-3-4-13(17)12(14)8-18/h3-7H,1-2H3.
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile?
2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile has a molecular weight of 275.71 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile is sourced from PubChem (CID 79513408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).