8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one

C12H10FNO2 — CID 67547171

IUPAC8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
SMILESO=c1ccc2ccc(F)c3c2n1CC(O)C3
InChIInChI=1S/C12H10FNO2/c13-10-3-1-7-2-4-11(16)14-6-8(15)5-9(10)12(7)14/h1-4,8,15H,5-6H2
InChIKeyVYCVRQLKAHWEOF-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.06
Rot. Bonds

About 8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one

8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one (PubChem CID 67547171) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one.

Molecular Properties

Compound Name8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
PubChem CID67547171
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
SMILESO=c1ccc2ccc(F)c3c2n1CC(O)C3
InChIInChI=1S/C12H10FNO2/c13-10-3-1-7-2-4-11(16)14-6-8(15)5-9(10)12(7)14/h1-4,8,15H,5-6H2
InChIKeyVYCVRQLKAHWEOF-UHFFFAOYSA-N
XLogP1.06
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one?
The IUPAC name of 8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one (CID 67547171) is 8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one.
What is the SMILES notation for 8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one?
The canonical SMILES for 8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one is O=c1ccc2ccc(F)c3c2n1CC(O)C3.
What is the InChIKey of 8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one?
The InChIKey is VYCVRQLKAHWEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-10-3-1-7-2-4-11(16)14-6-8(15)5-9(10)12(7)14/h1-4,8,15H,5-6H2.
What are the key properties of 8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one?
8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one has a molecular weight of 219.22 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-11-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one is sourced from PubChem (CID 67547171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).