2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid

C10H6F2O8 — CID 150298121

IUPAC2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)C1=CC(F)=C(C(=O)O)C(C(=O)O)C1(F)C(=O)O
InChIInChI=1S/C10H6F2O8/c11-3-1-2(6(13)14)10(12,9(19)20)5(8(17)18)4(3)7(15)16/h1,5H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyGJADKDZXYLHDBP-UHFFFAOYSA-N
MW292.15 g/mol
LogP-0.19
Rot. Bonds4

About 2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid

2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid (PubChem CID 150298121) has the molecular formula C10H6F2O8 and a molecular weight of 292.15 g/mol. Its IUPAC name is 2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid
PubChem CID150298121
Molecular FormulaC10H6F2O8
Molecular Weight292.15 g/mol
Exact Mass292.00
IUPAC Name2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)C1=CC(F)=C(C(=O)O)C(C(=O)O)C1(F)C(=O)O
InChIInChI=1S/C10H6F2O8/c11-3-1-2(6(13)14)10(12,9(19)20)5(8(17)18)4(3)7(15)16/h1,5H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyGJADKDZXYLHDBP-UHFFFAOYSA-N
XLogP-0.19
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid (CID 150298121) is 2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid is O=C(O)C1=CC(F)=C(C(=O)O)C(C(=O)O)C1(F)C(=O)O.
What is the InChIKey of 2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid?
The InChIKey is GJADKDZXYLHDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2O8/c11-3-1-2(6(13)14)10(12,9(19)20)5(8(17)18)4(3)7(15)16/h1,5H,(H,13,14)(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid?
2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid has a molecular weight of 292.15 g/mol, XLogP of -0.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluorocyclohexa-4,6-diene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 150298121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).