7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

C11H10FNO3 — CID 67940926

IUPAC7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
SMILESO=C1COc2cc(F)cc3c2N1CCC3O
InChIInChI=1S/C11H10FNO3/c12-6-3-7-8(14)1-2-13-10(15)5-16-9(4-6)11(7)13/h3-4,8,14H,1-2,5H2
InChIKeyOIZDLEKXUNEIHG-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.99
Rot. Bonds

About 7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one (PubChem CID 67940926) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one.

Molecular Properties

Compound Name7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
PubChem CID67940926
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
SMILESO=C1COc2cc(F)cc3c2N1CCC3O
InChIInChI=1S/C11H10FNO3/c12-6-3-7-8(14)1-2-13-10(15)5-16-9(4-6)11(7)13/h3-4,8,14H,1-2,5H2
InChIKeyOIZDLEKXUNEIHG-UHFFFAOYSA-N
XLogP0.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
The IUPAC name of 7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one (CID 67940926) is 7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one.
What is the SMILES notation for 7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
The canonical SMILES for 7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one is O=C1COc2cc(F)cc3c2N1CCC3O.
What is the InChIKey of 7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
The InChIKey is OIZDLEKXUNEIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-6-3-7-8(14)1-2-13-10(15)5-16-9(4-6)11(7)13/h3-4,8,14H,1-2,5H2.
What are the key properties of 7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one has a molecular weight of 223.20 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-10-hydroxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one is sourced from PubChem (CID 67940926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).