1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid

C8H4F4O4 — CID 22392131

IUPAC1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid
SMILESO=C(O)C1C=C(F)C(F)=C(F)C1(F)C(=O)O
InChIInChI=1S/C8H4F4O4/c9-3-1-2(6(13)14)8(12,7(15)16)5(11)4(3)10/h1-2H,(H,13,14)(H,15,16)
InChIKeyZAMDFELHWWZKIU-UHFFFAOYSA-N
MW240.11 g/mol
LogP1.50
Rot. Bonds2

About 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid

1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid (PubChem CID 22392131) has the molecular formula C8H4F4O4 and a molecular weight of 240.11 g/mol. Its IUPAC name is 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid
PubChem CID22392131
Molecular FormulaC8H4F4O4
Molecular Weight240.11 g/mol
Exact Mass240.00
IUPAC Name1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid
SMILESO=C(O)C1C=C(F)C(F)=C(F)C1(F)C(=O)O
InChIInChI=1S/C8H4F4O4/c9-3-1-2(6(13)14)8(12,7(15)16)5(11)4(3)10/h1-2H,(H,13,14)(H,15,16)
InChIKeyZAMDFELHWWZKIU-UHFFFAOYSA-N
XLogP1.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid?
The IUPAC name of 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid (CID 22392131) is 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid.
What is the SMILES notation for 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid?
The canonical SMILES for 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid is O=C(O)C1C=C(F)C(F)=C(F)C1(F)C(=O)O.
What is the InChIKey of 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid?
The InChIKey is ZAMDFELHWWZKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O4/c9-3-1-2(6(13)14)8(12,7(15)16)5(11)4(3)10/h1-2H,(H,13,14)(H,15,16).
What are the key properties of 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid?
1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid has a molecular weight of 240.11 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid is sourced from PubChem (CID 22392131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).