1,8-difluoroanthracene-9,10-dione

C14H6F2O2 — CID 10911747

IUPAC1,8-difluoroanthracene-9,10-dione
SMILESO=C1c2cccc(F)c2C(=O)c2c(F)cccc21
InChIInChI=1S/C14H6F2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H
InChIKeyLXGNVYMMUOLELK-UHFFFAOYSA-N
MW244.20 g/mol
LogP2.74
Rot. Bonds

About 1,8-difluoroanthracene-9,10-dione

1,8-difluoroanthracene-9,10-dione (PubChem CID 10911747) has the molecular formula C14H6F2O2 and a molecular weight of 244.20 g/mol. Its IUPAC name is 1,8-difluoroanthracene-9,10-dione.

Molecular Properties

Compound Name1,8-difluoroanthracene-9,10-dione
PubChem CID10911747
Molecular FormulaC14H6F2O2
Molecular Weight244.20 g/mol
Exact Mass244.03
IUPAC Name1,8-difluoroanthracene-9,10-dione
SMILESO=C1c2cccc(F)c2C(=O)c2c(F)cccc21
InChIInChI=1S/C14H6F2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H
InChIKeyLXGNVYMMUOLELK-UHFFFAOYSA-N
XLogP2.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,8-difluoroanthracene-9,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,8-difluoroanthracene-9,10-dione?
The IUPAC name of 1,8-difluoroanthracene-9,10-dione (CID 10911747) is 1,8-difluoroanthracene-9,10-dione.
What is the SMILES notation for 1,8-difluoroanthracene-9,10-dione?
The canonical SMILES for 1,8-difluoroanthracene-9,10-dione is O=C1c2cccc(F)c2C(=O)c2c(F)cccc21.
What is the InChIKey of 1,8-difluoroanthracene-9,10-dione?
The InChIKey is LXGNVYMMUOLELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H.
What are the key properties of 1,8-difluoroanthracene-9,10-dione?
1,8-difluoroanthracene-9,10-dione has a molecular weight of 244.20 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-difluoroanthracene-9,10-dione is sourced from PubChem (CID 10911747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).