2-(2,4-difluorophenoxy)-4-methylbenzonitrile

C14H9F2NO — CID 62303313

IUPAC2-(2,4-difluorophenoxy)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C14H9F2NO/c1-9-2-3-10(8-17)14(6-9)18-13-5-4-11(15)7-12(13)16/h2-7H,1H3
InChIKeyVAWGLOGFDVGNNB-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.94
Rot. Bonds2

About 2-(2,4-difluorophenoxy)-4-methylbenzonitrile

2-(2,4-difluorophenoxy)-4-methylbenzonitrile (PubChem CID 62303313) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-4-methylbenzonitrile
PubChem CID62303313
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-(2,4-difluorophenoxy)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C14H9F2NO/c1-9-2-3-10(8-17)14(6-9)18-13-5-4-11(15)7-12(13)16/h2-7H,1H3
InChIKeyVAWGLOGFDVGNNB-UHFFFAOYSA-N
XLogP3.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855784
2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile
CID 55232518
2-(4-fluoro-2-methylphenoxy)-5-methylbenzonitrile
CID 114017002
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
2-(2,4-difluorophenoxy)-4-methylaniline
CID 10105468
3-(2,4-difluorophenoxy)pyridine-4-carbonitrile
CID 113269432
2-(4-amino-2,5-difluorophenoxy)-5-methylbenzonitrile
CID 107931379
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
2-(4-bromo-2-methylphenoxy)-4-methylbenzonitrile
CID 63512756
2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-methylbenzonitrile
CID 103483239
1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene
CID 114054766

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-4-methylbenzonitrile?
The IUPAC name of 2-(2,4-difluorophenoxy)-4-methylbenzonitrile (CID 62303313) is 2-(2,4-difluorophenoxy)-4-methylbenzonitrile.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-4-methylbenzonitrile?
The canonical SMILES for 2-(2,4-difluorophenoxy)-4-methylbenzonitrile is Cc1ccc(C#N)c(Oc2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-4-methylbenzonitrile?
The InChIKey is VAWGLOGFDVGNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c1-9-2-3-10(8-17)14(6-9)18-13-5-4-11(15)7-12(13)16/h2-7H,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-4-methylbenzonitrile?
2-(2,4-difluorophenoxy)-4-methylbenzonitrile has a molecular weight of 245.23 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-4-methylbenzonitrile is sourced from PubChem (CID 62303313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).