3,4,5-trichlorofluoren-9-one

C13H5Cl3O — CID 82579530

IUPAC3,4,5-trichlorofluoren-9-one
SMILESO=C1c2cccc(Cl)c2-c2c1ccc(Cl)c2Cl
InChIInChI=1S/C13H5Cl3O/c14-8-3-1-2-6-10(8)11-7(13(6)17)4-5-9(15)12(11)16/h1-5H
InChIKeyQLTWSOADRREKNR-UHFFFAOYSA-N
MW283.54 g/mol
LogP4.86
Rot. Bonds

About 3,4,5-trichlorofluoren-9-one

3,4,5-trichlorofluoren-9-one (PubChem CID 82579530) has the molecular formula C13H5Cl3O and a molecular weight of 283.54 g/mol. Its IUPAC name is 3,4,5-trichlorofluoren-9-one.

Molecular Properties

Compound Name3,4,5-trichlorofluoren-9-one
PubChem CID82579530
Molecular FormulaC13H5Cl3O
Molecular Weight283.54 g/mol
Exact Mass281.94
IUPAC Name3,4,5-trichlorofluoren-9-one
SMILESO=C1c2cccc(Cl)c2-c2c1ccc(Cl)c2Cl
InChIInChI=1S/C13H5Cl3O/c14-8-3-1-2-6-10(8)11-7(13(6)17)4-5-9(15)12(11)16/h1-5H
InChIKeyQLTWSOADRREKNR-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.54
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-fluorofluoren-9-one
CID 82579497
2-chloro-6-(2,3,6-trichlorophenyl)phenol
CID 134620442
1-chloro-5-hydroxyanthracene-9,10-dione
CID 12631756
6-bromo-1-chloroanthracene-9,10-dione
CID 157462041
1,5-dichloro-10-methylideneanthracen-9-one
CID 13129777
2-chloro-6-(2,3,6-trichlorophenyl)benzamide
CID 134622714
4,8-dichlorobenzo[a]phenalen-7-one
CID 154137372
4,5-dichloroisoindole-1,3-dione
CID 14948820
4,6,10,12-tetrachlorotetracene-5,11-dione
CID 70840909
5-chloro-1,4-dimethylanthracene-9,10-dione
CID 141467229
anthracene-9,10-dione;1-chloroanthracene-9,10-dione;2-chloroanthracene-9,10-dione;ethane;2-methylanthracene-9,10-dione
CID 174912168
sodium 8-chloro-9,10-dioxoanthracene-2-sulfonate
CID 44784325

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichlorofluoren-9-one?
The IUPAC name of 3,4,5-trichlorofluoren-9-one (CID 82579530) is 3,4,5-trichlorofluoren-9-one.
What is the SMILES notation for 3,4,5-trichlorofluoren-9-one?
The canonical SMILES for 3,4,5-trichlorofluoren-9-one is O=C1c2cccc(Cl)c2-c2c1ccc(Cl)c2Cl.
What is the InChIKey of 3,4,5-trichlorofluoren-9-one?
The InChIKey is QLTWSOADRREKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl3O/c14-8-3-1-2-6-10(8)11-7(13(6)17)4-5-9(15)12(11)16/h1-5H.
What are the key properties of 3,4,5-trichlorofluoren-9-one?
3,4,5-trichlorofluoren-9-one has a molecular weight of 283.54 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichlorofluoren-9-one is sourced from PubChem (CID 82579530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).