4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid

C10H7FO4 — CID 134306760

IUPAC4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)Cc2ccc(F)cc21
InChIInChI=1S/C10H7FO4/c11-6-2-1-5-4-10(8(12)13,9(14)15)7(5)3-6/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKeyUOQATHZNMFACDJ-UHFFFAOYSA-N
MW210.16 g/mol
LogP0.79
Rot. Bonds2

About 4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid

4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid (PubChem CID 134306760) has the molecular formula C10H7FO4 and a molecular weight of 210.16 g/mol. Its IUPAC name is 4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid.

Molecular Properties

Compound Name4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid
PubChem CID134306760
Molecular FormulaC10H7FO4
Molecular Weight210.16 g/mol
Exact Mass210.03
IUPAC Name4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)Cc2ccc(F)cc21
InChIInChI=1S/C10H7FO4/c11-6-2-1-5-4-10(8(12)13,9(14)15)7(5)3-6/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKeyUOQATHZNMFACDJ-UHFFFAOYSA-N
XLogP0.79
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid?
The IUPAC name of 4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid (CID 134306760) is 4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid.
What is the SMILES notation for 4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid?
The canonical SMILES for 4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid is O=C(O)C1(C(=O)O)Cc2ccc(F)cc21.
What is the InChIKey of 4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid?
The InChIKey is UOQATHZNMFACDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO4/c11-6-2-1-5-4-10(8(12)13,9(14)15)7(5)3-6/h1-3H,4H2,(H,12,13)(H,14,15).
What are the key properties of 4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid?
4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid has a molecular weight of 210.16 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7,7-dicarboxylic acid is sourced from PubChem (CID 134306760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).