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

C14H10FNO — CID 2737395

IUPAC2-fluoro-6-(4-methylphenoxy)benzonitrile
SMILESCc1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C14H10FNO/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKeyJLTWAYPSQIKWIL-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.80
Rot. Bonds2

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

2-fluoro-6-(4-methylphenoxy)benzonitrile (PubChem CID 2737395) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-fluoro-6-(4-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(4-methylphenoxy)benzonitrile
PubChem CID2737395
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name2-fluoro-6-(4-methylphenoxy)benzonitrile
SMILESCc1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C14H10FNO/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKeyJLTWAYPSQIKWIL-UHFFFAOYSA-N
XLogP3.80
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-methylphenoxy)benzonitrile?
The IUPAC name of 2-fluoro-6-(4-methylphenoxy)benzonitrile (CID 2737395) is 2-fluoro-6-(4-methylphenoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(4-methylphenoxy)benzonitrile?
The canonical SMILES for 2-fluoro-6-(4-methylphenoxy)benzonitrile is Cc1ccc(Oc2cccc(F)c2C#N)cc1.
What is the InChIKey of 2-fluoro-6-(4-methylphenoxy)benzonitrile?
The InChIKey is JLTWAYPSQIKWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3.
What are the key properties of 2-fluoro-6-(4-methylphenoxy)benzonitrile?
2-fluoro-6-(4-methylphenoxy)benzonitrile has a molecular weight of 227.24 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-methylphenoxy)benzonitrile is sourced from PubChem (CID 2737395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).