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

C10H6F2O8 — CID 22598626

IUPAC1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid
SMILESO=C(O)C1=CC(F)(C(=O)O)C(C(=O)O)=CC1(F)C(=O)O
InChIInChI=1S/C10H6F2O8/c11-9(7(17)18)1-3(5(13)14)10(12,8(19)20)2-4(9)6(15)16/h1-2H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyYOXXVFVQJPSUDI-UHFFFAOYSA-N
MW292.15 g/mol
LogP-0.39
Rot. Bonds4

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

1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid (PubChem CID 22598626) has the molecular formula C10H6F2O8 and a molecular weight of 292.15 g/mol. Its IUPAC name is 1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid.

Molecular Properties

Compound Name1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid
PubChem CID22598626
Molecular FormulaC10H6F2O8
Molecular Weight292.15 g/mol
Exact Mass292.00
IUPAC Name1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid
SMILESO=C(O)C1=CC(F)(C(=O)O)C(C(=O)O)=CC1(F)C(=O)O
InChIInChI=1S/C10H6F2O8/c11-9(7(17)18)1-3(5(13)14)10(12,8(19)20)2-4(9)6(15)16/h1-2H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyYOXXVFVQJPSUDI-UHFFFAOYSA-N
XLogP-0.39
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 ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid?
The IUPAC name of 1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid (CID 22598626) is 1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid.
What is the SMILES notation for 1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid?
The canonical SMILES for 1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid is O=C(O)C1=CC(F)(C(=O)O)C(C(=O)O)=CC1(F)C(=O)O.
What is the InChIKey of 1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid?
The InChIKey is YOXXVFVQJPSUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2O8/c11-9(7(17)18)1-3(5(13)14)10(12,8(19)20)2-4(9)6(15)16/h1-2H,(H,13,14)(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid?
1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid has a molecular weight of 292.15 g/mol, XLogP of -0.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid is sourced from PubChem (CID 22598626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).