2-fluoro-6-(4-methoxyphenoxy)benzonitrile

C14H10FNO2 — CID 2804644

IUPAC2-fluoro-6-(4-methoxyphenoxy)benzonitrile
SMILESCOc1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C14H10FNO2/c1-17-10-5-7-11(8-6-10)18-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKeyZQMZRWJCULMXQS-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.50
Rot. Bonds3

About 2-fluoro-6-(4-methoxyphenoxy)benzonitrile

2-fluoro-6-(4-methoxyphenoxy)benzonitrile (PubChem CID 2804644) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-fluoro-6-(4-methoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(4-methoxyphenoxy)benzonitrile
PubChem CID2804644
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name2-fluoro-6-(4-methoxyphenoxy)benzonitrile
SMILESCOc1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C14H10FNO2/c1-17-10-5-7-11(8-6-10)18-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKeyZQMZRWJCULMXQS-UHFFFAOYSA-N
XLogP3.50
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-methoxyphenoxy)benzonitrile?
The IUPAC name of 2-fluoro-6-(4-methoxyphenoxy)benzonitrile (CID 2804644) is 2-fluoro-6-(4-methoxyphenoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(4-methoxyphenoxy)benzonitrile?
The canonical SMILES for 2-fluoro-6-(4-methoxyphenoxy)benzonitrile is COc1ccc(Oc2cccc(F)c2C#N)cc1.
What is the InChIKey of 2-fluoro-6-(4-methoxyphenoxy)benzonitrile?
The InChIKey is ZQMZRWJCULMXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c1-17-10-5-7-11(8-6-10)18-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3.
What are the key properties of 2-fluoro-6-(4-methoxyphenoxy)benzonitrile?
2-fluoro-6-(4-methoxyphenoxy)benzonitrile has a molecular weight of 243.24 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-methoxyphenoxy)benzonitrile is sourced from PubChem (CID 2804644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).