2,3-dibromofluoren-1-one

C13H6Br2O — CID 67203645

IUPAC2,3-dibromofluoren-1-one
SMILESO=C1C2=Cc3ccccc3C2=CC(Br)=C1Br
InChIInChI=1S/C13H6Br2O/c14-11-6-9-8-4-2-1-3-7(8)5-10(9)13(16)12(11)15/h1-6H
InChIKeyPVPORFNQRIYQRR-UHFFFAOYSA-N
MW338.00 g/mol
LogP4.05
Rot. Bonds

About 2,3-dibromofluoren-1-one

2,3-dibromofluoren-1-one (PubChem CID 67203645) has the molecular formula C13H6Br2O and a molecular weight of 338.00 g/mol. Its IUPAC name is 2,3-dibromofluoren-1-one.

Molecular Properties

Compound Name2,3-dibromofluoren-1-one
PubChem CID67203645
Molecular FormulaC13H6Br2O
Molecular Weight338.00 g/mol
Exact Mass335.88
IUPAC Name2,3-dibromofluoren-1-one
SMILESO=C1C2=Cc3ccccc3C2=CC(Br)=C1Br
InChIInChI=1S/C13H6Br2O/c14-11-6-9-8-4-2-1-3-7(8)5-10(9)13(16)12(11)15/h1-6H
InChIKeyPVPORFNQRIYQRR-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromofluoren-1-one?
The IUPAC name of 2,3-dibromofluoren-1-one (CID 67203645) is 2,3-dibromofluoren-1-one.
What is the SMILES notation for 2,3-dibromofluoren-1-one?
The canonical SMILES for 2,3-dibromofluoren-1-one is O=C1C2=Cc3ccccc3C2=CC(Br)=C1Br.
What is the InChIKey of 2,3-dibromofluoren-1-one?
The InChIKey is PVPORFNQRIYQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2O/c14-11-6-9-8-4-2-1-3-7(8)5-10(9)13(16)12(11)15/h1-6H.
What are the key properties of 2,3-dibromofluoren-1-one?
2,3-dibromofluoren-1-one has a molecular weight of 338.00 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromofluoren-1-one is sourced from PubChem (CID 67203645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).