3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile

C16H7FN2O2 — CID 102818248

IUPAC3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile
SMILESN#Cc1cc(F)cc(Oc2c(C#N)oc3ccccc23)c1
InChIInChI=1S/C16H7FN2O2/c17-11-5-10(8-18)6-12(7-11)20-16-13-3-1-2-4-14(13)21-15(16)9-19/h1-7H
InChIKeyTXZDOBIGPSZQAC-UHFFFAOYSA-N
MW278.24 g/mol
LogP4.11
Rot. Bonds2

About 3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile

3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile (PubChem CID 102818248) has the molecular formula C16H7FN2O2 and a molecular weight of 278.24 g/mol. Its IUPAC name is 3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile
PubChem CID102818248
Molecular FormulaC16H7FN2O2
Molecular Weight278.24 g/mol
Exact Mass278.05
IUPAC Name3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile
SMILESN#Cc1cc(F)cc(Oc2c(C#N)oc3ccccc23)c1
InChIInChI=1S/C16H7FN2O2/c17-11-5-10(8-18)6-12(7-11)20-16-13-3-1-2-4-14(13)21-15(16)9-19/h1-7H
InChIKeyTXZDOBIGPSZQAC-UHFFFAOYSA-N
XLogP4.11
TPSA69.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile?
The IUPAC name of 3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile (CID 102818248) is 3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile?
The canonical SMILES for 3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile is N#Cc1cc(F)cc(Oc2c(C#N)oc3ccccc23)c1.
What is the InChIKey of 3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile?
The InChIKey is TXZDOBIGPSZQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7FN2O2/c17-11-5-10(8-18)6-12(7-11)20-16-13-3-1-2-4-14(13)21-15(16)9-19/h1-7H.
What are the key properties of 3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile?
3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile has a molecular weight of 278.24 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-5-fluorophenoxy)-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 102818248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).