1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid

C18H4F4O10 — CID 23304004

IUPAC1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid
SMILESO=C(O)c1c(F)c2c(c(F)c1C(=O)O)C(=O)c1c(F)c(C(=O)O)c(C(=O)O)c(F)c1C2=O
InChIInChI=1S/C18H4F4O10/c19-9-1-2(10(20)6(16(27)28)5(9)15(25)26)14(24)4-3(13(1)23)11(21)7(17(29)30)8(12(4)22)18(31)32/h(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKeyNFBDYOQLXKFIAW-UHFFFAOYSA-N
MW456.21 g/mol
LogP1.81
Rot. Bonds4

About 1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid

1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid (PubChem CID 23304004) has the molecular formula C18H4F4O10 and a molecular weight of 456.21 g/mol. Its IUPAC name is 1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid.

Molecular Properties

Compound Name1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid
PubChem CID23304004
Molecular FormulaC18H4F4O10
Molecular Weight456.21 g/mol
Exact Mass455.97
IUPAC Name1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid
SMILESO=C(O)c1c(F)c2c(c(F)c1C(=O)O)C(=O)c1c(F)c(C(=O)O)c(C(=O)O)c(F)c1C2=O
InChIInChI=1S/C18H4F4O10/c19-9-1-2(10(20)6(16(27)28)5(9)15(25)26)14(24)4-3(13(1)23)11(21)7(17(29)30)8(12(4)22)18(31)32/h(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKeyNFBDYOQLXKFIAW-UHFFFAOYSA-N
XLogP1.81
TPSA183.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.21
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Anthraquinone-2,3-dicarboxylic Acid
CID 3678091
1,3,4,5,6,7,8-Heptafluoronaphthalene-2-carboxylic acid
CID 297544
9,10-Anthraquinone-1,3-dicarboxylic acid
CID 68114119
3-Methyl-9,10-dioxoanthracene-1-carboxylic acid
CID 154197224
9,10-Dioxo-9,10-dihydroanthracene-1,4-dicarboxylic acid
CID 3100909
2,2',5,5',6,6'-Hexafluoro[1,1'-biphenyl]-3,3',4,4'-tetracarboxylic acid
CID 298211
4-Fluoro-9,10-dioxoanthracene-2-carboxylic acid
CID 164618662
Hexa-fluoroisopropylidene bisphthalic acid
CID 22107569
2,5-Bis(4-fluorobenzoyl)terephthalic acid
CID 23586499
4,6-Bis(4-fluorobenzoyl)benzene-1,3-dicarboxylic acid
CID 23586573
1,2-Anthraquinonedicarboxylic acid
CID 344313
2,3,6,7-Tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid
CID 23234488

Frequently Asked Questions

What is the IUPAC name of 1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid?
The IUPAC name of 1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid (CID 23304004) is 1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid.
What is the SMILES notation for 1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid?
The canonical SMILES for 1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid is O=C(O)c1c(F)c2c(c(F)c1C(=O)O)C(=O)c1c(F)c(C(=O)O)c(C(=O)O)c(F)c1C2=O.
What is the InChIKey of 1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid?
The InChIKey is NFBDYOQLXKFIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H4F4O10/c19-9-1-2(10(20)6(16(27)28)5(9)15(25)26)14(24)4-3(13(1)23)11(21)7(17(29)30)8(12(4)22)18(31)32/h(H,25,26)(H,27,28)(H,29,30)(H,31,32).
What are the key properties of 1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid?
1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid has a molecular weight of 456.21 g/mol, XLogP of 1.81, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetrafluoro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylic acid is sourced from PubChem (CID 23304004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).