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

C8H4F4O4 — CID 69277428

IUPAC1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid
SMILESO=C(O)C1=C(F)C(F)=CC(F)(C(=O)O)C1F
InChIInChI=1S/C8H4F4O4/c9-2-1-8(12,7(15)16)5(11)3(4(2)10)6(13)14/h1,5H,(H,13,14)(H,15,16)
InChIKeyZKCBOWDLPADGSM-UHFFFAOYSA-N
MW240.11 g/mol
LogP1.29
Rot. Bonds2

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

1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid (PubChem CID 69277428) has the molecular formula C8H4F4O4 and a molecular weight of 240.11 g/mol. Its IUPAC name is 1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid
PubChem CID69277428
Molecular FormulaC8H4F4O4
Molecular Weight240.11 g/mol
Exact Mass240.00
IUPAC Name1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid
SMILESO=C(O)C1=C(F)C(F)=CC(F)(C(=O)O)C1F
InChIInChI=1S/C8H4F4O4/c9-2-1-8(12,7(15)16)5(11)3(4(2)10)6(13)14/h1,5H,(H,13,14)(H,15,16)
InChIKeyZKCBOWDLPADGSM-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid?
The IUPAC name of 1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid (CID 69277428) is 1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid.
What is the SMILES notation for 1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid?
The canonical SMILES for 1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid is O=C(O)C1=C(F)C(F)=CC(F)(C(=O)O)C1F.
What is the InChIKey of 1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid?
The InChIKey is ZKCBOWDLPADGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O4/c9-2-1-8(12,7(15)16)5(11)3(4(2)10)6(13)14/h1,5H,(H,13,14)(H,15,16).
What are the key properties of 1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid?
1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid has a molecular weight of 240.11 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluorocyclohexa-3,5-diene-1,3-dicarboxylic acid is sourced from PubChem (CID 69277428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).