3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one

C11H8FNO2 — CID 151311181

IUPAC3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
SMILESO=c1ccn2c3c(cccc13)OC(F)C2
InChIInChI=1S/C11H8FNO2/c12-10-6-13-5-4-8(14)7-2-1-3-9(15-10)11(7)13/h1-5,10H,6H2
InChIKeyOELUASCYYOWIPN-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.69
Rot. Bonds

About 3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one

3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one (PubChem CID 151311181) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one.

Molecular Properties

Compound Name3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
PubChem CID151311181
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
SMILESO=c1ccn2c3c(cccc13)OC(F)C2
InChIInChI=1S/C11H8FNO2/c12-10-6-13-5-4-8(14)7-2-1-3-9(15-10)11(7)13/h1-5,10H,6H2
InChIKeyOELUASCYYOWIPN-UHFFFAOYSA-N
XLogP1.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
The IUPAC name of 3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one (CID 151311181) is 3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one.
What is the SMILES notation for 3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
The canonical SMILES for 3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one is O=c1ccn2c3c(cccc13)OC(F)C2.
What is the InChIKey of 3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
The InChIKey is OELUASCYYOWIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c12-10-6-13-5-4-8(14)7-2-1-3-9(15-10)11(7)13/h1-5,10H,6H2.
What are the key properties of 3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one has a molecular weight of 205.19 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one is sourced from PubChem (CID 151311181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).