2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid

C14H4F4O8 — CID 23234488

IUPAC2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid
SMILESO=C(O)c1c(F)c(F)c(C(=O)O)c2c(C(=O)O)c(F)c(F)c(C(=O)O)c12
InChIInChI=1S/C14H4F4O8/c15-7-3(11(19)20)1-2(5(9(7)17)13(23)24)6(14(25)26)10(18)8(16)4(1)12(21)22/h(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyIEBGXVSZOPMULE-UHFFFAOYSA-N
MW376.17 g/mol
LogP2.19
Rot. Bonds4

About 2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid

2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid (PubChem CID 23234488) has the molecular formula C14H4F4O8 and a molecular weight of 376.17 g/mol. Its IUPAC name is 2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid.

Molecular Properties

Compound Name2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid
PubChem CID23234488
Molecular FormulaC14H4F4O8
Molecular Weight376.17 g/mol
Exact Mass375.98
IUPAC Name2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid
SMILESO=C(O)c1c(F)c(F)c(C(=O)O)c2c(C(=O)O)c(F)c(F)c(C(=O)O)c12
InChIInChI=1S/C14H4F4O8/c15-7-3(11(19)20)1-2(5(9(7)17)13(23)24)6(14(25)26)10(18)8(16)4(1)12(21)22/h(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyIEBGXVSZOPMULE-UHFFFAOYSA-N
XLogP2.19
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid?
The IUPAC name of 2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid (CID 23234488) is 2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid.
What is the SMILES notation for 2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid?
The canonical SMILES for 2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid is O=C(O)c1c(F)c(F)c(C(=O)O)c2c(C(=O)O)c(F)c(F)c(C(=O)O)c12.
What is the InChIKey of 2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid?
The InChIKey is IEBGXVSZOPMULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F4O8/c15-7-3(11(19)20)1-2(5(9(7)17)13(23)24)6(14(25)26)10(18)8(16)4(1)12(21)22/h(H,19,20)(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid?
2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid has a molecular weight of 376.17 g/mol, XLogP of 2.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrafluoronaphthalene-1,4,5,8-tetracarboxylic acid is sourced from PubChem (CID 23234488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).