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

C14H4F4O8 — CID 23304046

IUPAC1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(F)c2c(F)c(C(=O)O)c(C(=O)O)c(F)c2c1F
InChIInChI=1S/C14H4F4O8/c15-7-1-2(9(17)5(13(23)24)3(7)11(19)20)10(18)6(14(25)26)4(8(1)16)12(21)22/h(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyFQCXKCMJLIQNBZ-UHFFFAOYSA-N
MW376.17 g/mol
LogP2.19
Rot. Bonds4

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

1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid (PubChem CID 23304046) has the molecular formula C14H4F4O8 and a molecular weight of 376.17 g/mol. Its IUPAC name is 1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid.

Molecular Properties

Compound Name1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid
PubChem CID23304046
Molecular FormulaC14H4F4O8
Molecular Weight376.17 g/mol
Exact Mass375.98
IUPAC Name1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(F)c2c(F)c(C(=O)O)c(C(=O)O)c(F)c2c1F
InChIInChI=1S/C14H4F4O8/c15-7-1-2(9(17)5(13(23)24)3(7)11(19)20)10(18)6(14(25)26)4(8(1)16)12(21)22/h(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyFQCXKCMJLIQNBZ-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 1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid?
The IUPAC name of 1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid (CID 23304046) is 1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid.
What is the SMILES notation for 1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid?
The canonical SMILES for 1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid is O=C(O)c1c(C(=O)O)c(F)c2c(F)c(C(=O)O)c(C(=O)O)c(F)c2c1F.
What is the InChIKey of 1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid?
The InChIKey is FQCXKCMJLIQNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F4O8/c15-7-1-2(9(17)5(13(23)24)3(7)11(19)20)10(18)6(14(25)26)4(8(1)16)12(21)22/h(H,19,20)(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid?
1,4,5,8-tetrafluoronaphthalene-2,3,6,7-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 1,4,5,8-tetrafluoronaphthalene-2,3,6,7-tetracarboxylic acid is sourced from PubChem (CID 23304046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).