5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride

C11H10Cl2FNO2 — CID 142695262

IUPAC5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride
SMILESCl.Cl.O=c1ccc2ccc(F)c3c2n1CC3O
InChIInChI=1S/C11H8FNO2.2ClH/c12-7-3-1-6-2-4-9(15)13-5-8(14)10(7)11(6)13;;/h1-4,8,14H,5H2;2*1H
InChIKeyARZOOSKQXQBDHI-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.03
Rot. Bonds

About 5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride

5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride (PubChem CID 142695262) has the molecular formula C11H10Cl2FNO2 and a molecular weight of 278.11 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride
PubChem CID142695262
Molecular FormulaC11H10Cl2FNO2
Molecular Weight278.11 g/mol
Exact Mass277.01
IUPAC Name5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride
SMILESCl.Cl.O=c1ccc2ccc(F)c3c2n1CC3O
InChIInChI=1S/C11H8FNO2.2ClH/c12-7-3-1-6-2-4-9(15)13-5-8(14)10(7)11(6)13;;/h1-4,8,14H,5H2;2*1H
InChIKeyARZOOSKQXQBDHI-UHFFFAOYSA-N
XLogP2.03
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride?
The IUPAC name of 5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride (CID 142695262) is 5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride.
What is the SMILES notation for 5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride?
The canonical SMILES for 5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride is Cl.Cl.O=c1ccc2ccc(F)c3c2n1CC3O.
What is the InChIKey of 5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride?
The InChIKey is ARZOOSKQXQBDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2.2ClH/c12-7-3-1-6-2-4-9(15)13-5-8(14)10(7)11(6)13;;/h1-4,8,14H,5H2;2*1H.
What are the key properties of 5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride?
5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride has a molecular weight of 278.11 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride is sourced from PubChem (CID 142695262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).