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

C14H6F4O8 — CID 154228183

IUPAC2,3,6,7-tetrafluoronaphthalene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)C1=c2cc(F)c(F)cc2=C(C(=O)O)C(F)(C(=O)O)C1(F)C(=O)O
InChIInChI=1S/C14H6F4O8/c15-5-1-3-4(2-6(5)16)8(10(21)22)14(18,12(25)26)13(17,11(23)24)7(3)9(19)20/h1-2H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyDJGHIPFQJYZDQG-UHFFFAOYSA-N
MW378.19 g/mol
LogP-0.97
Rot. Bonds4

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

2,3,6,7-tetrafluoronaphthalene-1,2,3,4-tetracarboxylic acid (PubChem CID 154228183) has the molecular formula C14H6F4O8 and a molecular weight of 378.19 g/mol. Its IUPAC name is 2,3,6,7-tetrafluoronaphthalene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name2,3,6,7-tetrafluoronaphthalene-1,2,3,4-tetracarboxylic acid
PubChem CID154228183
Molecular FormulaC14H6F4O8
Molecular Weight378.19 g/mol
Exact Mass378.00
IUPAC Name2,3,6,7-tetrafluoronaphthalene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)C1=c2cc(F)c(F)cc2=C(C(=O)O)C(F)(C(=O)O)C1(F)C(=O)O
InChIInChI=1S/C14H6F4O8/c15-5-1-3-4(2-6(5)16)8(10(21)22)14(18,12(25)26)13(17,11(23)24)7(3)9(19)20/h1-2H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyDJGHIPFQJYZDQG-UHFFFAOYSA-N
XLogP-0.97
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 5-0.97
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-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 2,3,6,7-tetrafluoronaphthalene-1,2,3,4-tetracarboxylic acid (CID 154228183) is 2,3,6,7-tetrafluoronaphthalene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 2,3,6,7-tetrafluoronaphthalene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 2,3,6,7-tetrafluoronaphthalene-1,2,3,4-tetracarboxylic acid is O=C(O)C1=c2cc(F)c(F)cc2=C(C(=O)O)C(F)(C(=O)O)C1(F)C(=O)O.
What is the InChIKey of 2,3,6,7-tetrafluoronaphthalene-1,2,3,4-tetracarboxylic acid?
The InChIKey is DJGHIPFQJYZDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F4O8/c15-5-1-3-4(2-6(5)16)8(10(21)22)14(18,12(25)26)13(17,11(23)24)7(3)9(19)20/h1-2H,(H,19,20)(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 2,3,6,7-tetrafluoronaphthalene-1,2,3,4-tetracarboxylic acid?
2,3,6,7-tetrafluoronaphthalene-1,2,3,4-tetracarboxylic acid has a molecular weight of 378.19 g/mol, XLogP of -0.97, 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-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 154228183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).