3-fluoro-9,10-dioxoanthracene-2-diazonium

C14H6FN2O2+ — CID 163760469

IUPAC3-fluoro-9,10-dioxoanthracene-2-diazonium
SMILESN#[N+]c1cc2c(cc1F)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H6FN2O2/c15-11-5-9-10(6-12(11)17-16)14(19)8-4-2-1-3-7(8)13(9)18/h1-6H/q+1
InChIKeyLXTFWTYKNXITNH-UHFFFAOYSA-N
MW253.21 g/mol
LogP3.09
Rot. Bonds

About 3-fluoro-9,10-dioxoanthracene-2-diazonium

3-fluoro-9,10-dioxoanthracene-2-diazonium (PubChem CID 163760469) has the molecular formula C14H6FN2O2+ and a molecular weight of 253.21 g/mol. Its IUPAC name is 3-fluoro-9,10-dioxoanthracene-2-diazonium.

Molecular Properties

Compound Name3-fluoro-9,10-dioxoanthracene-2-diazonium
PubChem CID163760469
Molecular FormulaC14H6FN2O2+
Molecular Weight253.21 g/mol
Exact Mass253.04
IUPAC Name3-fluoro-9,10-dioxoanthracene-2-diazonium
SMILESN#[N+]c1cc2c(cc1F)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H6FN2O2/c15-11-5-9-10(6-12(11)17-16)14(19)8-4-2-1-3-7(8)13(9)18/h1-6H/q+1
InChIKeyLXTFWTYKNXITNH-UHFFFAOYSA-N
XLogP3.09
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 158261979
CID 158261979
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
2,4,5-trifluorobenzenediazonium bromide
CID 166525830
2,3-dihydroxyanthracene-9,10-dione
CID 11031986
2-fluorobenzenediazonium fluoride
CID 14451953
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
2-(9-oxofluoren-2-yl)fluoren-9-one
CID 86119721
1-hydroxy-3-oxoindene-2-diazonium
CID 4174837

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-9,10-dioxoanthracene-2-diazonium?
The IUPAC name of 3-fluoro-9,10-dioxoanthracene-2-diazonium (CID 163760469) is 3-fluoro-9,10-dioxoanthracene-2-diazonium.
What is the SMILES notation for 3-fluoro-9,10-dioxoanthracene-2-diazonium?
The canonical SMILES for 3-fluoro-9,10-dioxoanthracene-2-diazonium is N#[N+]c1cc2c(cc1F)C(=O)c1ccccc1C2=O.
What is the InChIKey of 3-fluoro-9,10-dioxoanthracene-2-diazonium?
The InChIKey is LXTFWTYKNXITNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6FN2O2/c15-11-5-9-10(6-12(11)17-16)14(19)8-4-2-1-3-7(8)13(9)18/h1-6H/q+1.
What are the key properties of 3-fluoro-9,10-dioxoanthracene-2-diazonium?
3-fluoro-9,10-dioxoanthracene-2-diazonium has a molecular weight of 253.21 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-9,10-dioxoanthracene-2-diazonium is sourced from PubChem (CID 163760469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).