1,4-difluoro-5,8-dimethylanthracene-9,10-dione

C16H10F2O2 — CID 10890992

IUPAC1,4-difluoro-5,8-dimethylanthracene-9,10-dione
SMILESCc1ccc(C)c2c1C(=O)c1c(F)ccc(F)c1C2=O
InChIInChI=1S/C16H10F2O2/c1-7-3-4-8(2)12-11(7)15(19)13-9(17)5-6-10(18)14(13)16(12)20/h3-6H,1-2H3
InChIKeyNCEBBBRVVYSAQU-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.36
Rot. Bonds

About 1,4-difluoro-5,8-dimethylanthracene-9,10-dione

1,4-difluoro-5,8-dimethylanthracene-9,10-dione (PubChem CID 10890992) has the molecular formula C16H10F2O2 and a molecular weight of 272.25 g/mol. Its IUPAC name is 1,4-difluoro-5,8-dimethylanthracene-9,10-dione.

Molecular Properties

Compound Name1,4-difluoro-5,8-dimethylanthracene-9,10-dione
PubChem CID10890992
Molecular FormulaC16H10F2O2
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC Name1,4-difluoro-5,8-dimethylanthracene-9,10-dione
SMILESCc1ccc(C)c2c1C(=O)c1c(F)ccc(F)c1C2=O
InChIInChI=1S/C16H10F2O2/c1-7-3-4-8(2)12-11(7)15(19)13-9(17)5-6-10(18)14(13)16(12)20/h3-6H,1-2H3
InChIKeyNCEBBBRVVYSAQU-UHFFFAOYSA-N
XLogP3.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-5,8-dimethylanthracene-9,10-dione?
The IUPAC name of 1,4-difluoro-5,8-dimethylanthracene-9,10-dione (CID 10890992) is 1,4-difluoro-5,8-dimethylanthracene-9,10-dione.
What is the SMILES notation for 1,4-difluoro-5,8-dimethylanthracene-9,10-dione?
The canonical SMILES for 1,4-difluoro-5,8-dimethylanthracene-9,10-dione is Cc1ccc(C)c2c1C(=O)c1c(F)ccc(F)c1C2=O.
What is the InChIKey of 1,4-difluoro-5,8-dimethylanthracene-9,10-dione?
The InChIKey is NCEBBBRVVYSAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2O2/c1-7-3-4-8(2)12-11(7)15(19)13-9(17)5-6-10(18)14(13)16(12)20/h3-6H,1-2H3.
What are the key properties of 1,4-difluoro-5,8-dimethylanthracene-9,10-dione?
1,4-difluoro-5,8-dimethylanthracene-9,10-dione has a molecular weight of 272.25 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-5,8-dimethylanthracene-9,10-dione is sourced from PubChem (CID 10890992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).