2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile

C14H9ClFNO — CID 55232518

IUPAC2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile
SMILESCc1ccc(Oc2ccc(F)cc2C#N)c(Cl)c1
InChIInChI=1S/C14H9ClFNO/c1-9-2-4-14(12(15)6-9)18-13-5-3-11(16)7-10(13)8-17/h2-7H,1H3
InChIKeyCXVPQAIGFSRUAG-UHFFFAOYSA-N
MW261.68 g/mol
LogP4.45
Rot. Bonds2

About 2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile

2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile (PubChem CID 55232518) has the molecular formula C14H9ClFNO and a molecular weight of 261.68 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile
PubChem CID55232518
Molecular FormulaC14H9ClFNO
Molecular Weight261.68 g/mol
Exact Mass261.04
IUPAC Name2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile
SMILESCc1ccc(Oc2ccc(F)cc2C#N)c(Cl)c1
InChIInChI=1S/C14H9ClFNO/c1-9-2-4-14(12(15)6-9)18-13-5-3-11(16)7-10(13)8-17/h2-7H,1H3
InChIKeyCXVPQAIGFSRUAG-UHFFFAOYSA-N
XLogP4.45
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 54.45
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-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313
5-amino-2-(2-chloro-4-methylphenoxy)benzonitrile
CID 62670401
2-(4-fluoro-2-methylphenoxy)-5-methylbenzonitrile
CID 114017002
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399
[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]methanol
CID 62673083
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine
CID 78938414
2-(4-chloronaphthalen-1-yl)oxy-4-methylbenzonitrile
CID 63514488
(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile (CID 55232518) is 2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile is Cc1ccc(Oc2ccc(F)cc2C#N)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile?
The InChIKey is CXVPQAIGFSRUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO/c1-9-2-4-14(12(15)6-9)18-13-5-3-11(16)7-10(13)8-17/h2-7H,1H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile?
2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile has a molecular weight of 261.68 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile is sourced from PubChem (CID 55232518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).