5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid

C11H6F4O8 — CID 141319807

IUPAC5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid
SMILESO=C(O)C1=CC(C(=O)O)=C(C(=O)O)C(C(F)(F)F)C1(F)C(=O)O
InChIInChI=1S/C11H6F4O8/c12-10(9(22)23)3(7(18)19)1-2(6(16)17)4(8(20)21)5(10)11(13,14)15/h1,5H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)
InChIKeyQFEQSWHZZUQJFG-UHFFFAOYSA-N
MW342.15 g/mol
LogP0.45
Rot. Bonds4

About 5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid

5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid (PubChem CID 141319807) has the molecular formula C11H6F4O8 and a molecular weight of 342.15 g/mol. Its IUPAC name is 5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid
PubChem CID141319807
Molecular FormulaC11H6F4O8
Molecular Weight342.15 g/mol
Exact Mass342.00
IUPAC Name5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid
SMILESO=C(O)C1=CC(C(=O)O)=C(C(=O)O)C(C(F)(F)F)C1(F)C(=O)O
InChIInChI=1S/C11H6F4O8/c12-10(9(22)23)3(7(18)19)1-2(6(16)17)4(8(20)21)5(10)11(13,14)15/h1,5H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)
InChIKeyQFEQSWHZZUQJFG-UHFFFAOYSA-N
XLogP0.45
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid?
The IUPAC name of 5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid (CID 141319807) is 5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid.
What is the SMILES notation for 5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid?
The canonical SMILES for 5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid is O=C(O)C1=CC(C(=O)O)=C(C(=O)O)C(C(F)(F)F)C1(F)C(=O)O.
What is the InChIKey of 5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid?
The InChIKey is QFEQSWHZZUQJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4O8/c12-10(9(22)23)3(7(18)19)1-2(6(16)17)4(8(20)21)5(10)11(13,14)15/h1,5H,(H,16,17)(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid?
5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid has a molecular weight of 342.15 g/mol, XLogP of 0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(trifluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid is sourced from PubChem (CID 141319807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).