6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine

C17H10F2N4O — CID 71070341

IUPAC6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine
SMILESFc1ccc(-c2nc(Oc3ccccc3F)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H10F2N4O/c18-11-7-5-10(6-8-11)15-22-16-14(20-9-21-16)17(23-15)24-13-4-2-1-3-12(13)19/h1-9H,(H,20,21,22,23)
InChIKeyNPPHHDXZYKYCGZ-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.09
Rot. Bonds3

About 6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine

6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine (PubChem CID 71070341) has the molecular formula C17H10F2N4O and a molecular weight of 324.29 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine
PubChem CID71070341
Molecular FormulaC17H10F2N4O
Molecular Weight324.29 g/mol
Exact Mass324.08
IUPAC Name6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine
SMILESFc1ccc(-c2nc(Oc3ccccc3F)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H10F2N4O/c18-11-7-5-10(6-8-11)15-22-16-14(20-9-21-16)17(23-15)24-13-4-2-1-3-12(13)19/h1-9H,(H,20,21,22,23)
InChIKeyNPPHHDXZYKYCGZ-UHFFFAOYSA-N
XLogP4.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine?
The IUPAC name of 6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine (CID 71070341) is 6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine.
What is the SMILES notation for 6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine?
The canonical SMILES for 6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine is Fc1ccc(-c2nc(Oc3ccccc3F)c3[nH]cnc3n2)cc1.
What is the InChIKey of 6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine?
The InChIKey is NPPHHDXZYKYCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N4O/c18-11-7-5-10(6-8-11)15-22-16-14(20-9-21-16)17(23-15)24-13-4-2-1-3-12(13)19/h1-9H,(H,20,21,22,23).
What are the key properties of 6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine?
6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine has a molecular weight of 324.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine is sourced from PubChem (CID 71070341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).