4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine

C16H9FN2O2 — CID 22586504

IUPAC4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1cccc(Oc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C16H9FN2O2/c17-10-4-3-5-11(8-10)20-16-15-14(18-9-19-16)12-6-1-2-7-13(12)21-15/h1-9H
InChIKeyDADYYQMOYGQPTG-UHFFFAOYSA-N
MW280.26 g/mol
LogP4.31
Rot. Bonds2

About 4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine

4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 22586504) has the molecular formula C16H9FN2O2 and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID22586504
Molecular FormulaC16H9FN2O2
Molecular Weight280.26 g/mol
Exact Mass280.06
IUPAC Name4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1cccc(Oc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C16H9FN2O2/c17-10-4-3-5-11(8-10)20-16-15-14(18-9-19-16)12-6-1-2-7-13(12)21-15/h1-9H
InChIKeyDADYYQMOYGQPTG-UHFFFAOYSA-N
XLogP4.31
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine (CID 22586504) is 4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine is Fc1cccc(Oc2ncnc3c2oc2ccccc23)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is DADYYQMOYGQPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN2O2/c17-10-4-3-5-11(8-10)20-16-15-14(18-9-19-16)12-6-1-2-7-13(12)21-15/h1-9H.
What are the key properties of 4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine?
4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 280.26 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 22586504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).