5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione

C12H6F4O4 — CID 52918191

IUPAC5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione
SMILESCOC1=C(OC)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O
InChIInChI=1S/C12H6F4O4/c1-19-11-9(17)3-4(10(18)12(11)20-2)6(14)8(16)7(15)5(3)13/h1-2H3
InChIKeyRWFZTHGRYHZHKJ-UHFFFAOYSA-N
MW290.17 g/mol
LogP2.13
Rot. Bonds2

About 5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione

5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione (PubChem CID 52918191) has the molecular formula C12H6F4O4 and a molecular weight of 290.17 g/mol. Its IUPAC name is 5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione
PubChem CID52918191
Molecular FormulaC12H6F4O4
Molecular Weight290.17 g/mol
Exact Mass290.02
IUPAC Name5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione
SMILESCOC1=C(OC)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O
InChIInChI=1S/C12H6F4O4/c1-19-11-9(17)3-4(10(18)12(11)20-2)6(14)8(16)7(15)5(3)13/h1-2H3
InChIKeyRWFZTHGRYHZHKJ-UHFFFAOYSA-N
XLogP2.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione?
The IUPAC name of 5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione (CID 52918191) is 5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione.
What is the SMILES notation for 5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione?
The canonical SMILES for 5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione is COC1=C(OC)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.
What is the InChIKey of 5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione?
The InChIKey is RWFZTHGRYHZHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4O4/c1-19-11-9(17)3-4(10(18)12(11)20-2)6(14)8(16)7(15)5(3)13/h1-2H3.
What are the key properties of 5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione?
5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione has a molecular weight of 290.17 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione is sourced from PubChem (CID 52918191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).