1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid

C15H11FO4 — CID 15679054

IUPAC1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid
SMILESO=C(O)C1Oc2ccccc2Cc2cccc(F)c2O1
InChIInChI=1S/C15H11FO4/c16-11-6-3-5-10-8-9-4-1-2-7-12(9)19-15(14(17)18)20-13(10)11/h1-7,15H,8H2,(H,17,18)
InChIKeyFUCDCQCRBSSXCP-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.60
Rot. Bonds1

About 1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid

1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid (PubChem CID 15679054) has the molecular formula C15H11FO4 and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid
PubChem CID15679054
Molecular FormulaC15H11FO4
Molecular Weight274.25 g/mol
Exact Mass274.06
IUPAC Name1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid
SMILESO=C(O)C1Oc2ccccc2Cc2cccc(F)c2O1
InChIInChI=1S/C15H11FO4/c16-11-6-3-5-10-8-9-4-1-2-7-12(9)19-15(14(17)18)20-13(10)11/h1-7,15H,8H2,(H,17,18)
InChIKeyFUCDCQCRBSSXCP-UHFFFAOYSA-N
XLogP2.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid?
The IUPAC name of 1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid (CID 15679054) is 1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid.
What is the SMILES notation for 1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid?
The canonical SMILES for 1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid is O=C(O)C1Oc2ccccc2Cc2cccc(F)c2O1.
What is the InChIKey of 1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid?
The InChIKey is FUCDCQCRBSSXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO4/c16-11-6-3-5-10-8-9-4-1-2-7-12(9)19-15(14(17)18)20-13(10)11/h1-7,15H,8H2,(H,17,18).
What are the key properties of 1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid?
1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid has a molecular weight of 274.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid is sourced from PubChem (CID 15679054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).