2,7-dibromo-9,9-dichlorofluorene

C13H6Br2Cl2 — CID 5067268

IUPAC2,7-dibromo-9,9-dichlorofluorene
SMILESClC1(Cl)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C13H6Br2Cl2/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16,17)11(9)5-7/h1-6H
InChIKeyLGHZLUBSADXXPT-UHFFFAOYSA-N
MW392.91 g/mol
LogP5.87
Rot. Bonds

About 2,7-dibromo-9,9-dichlorofluorene

2,7-dibromo-9,9-dichlorofluorene (PubChem CID 5067268) has the molecular formula C13H6Br2Cl2 and a molecular weight of 392.91 g/mol. Its IUPAC name is 2,7-dibromo-9,9-dichlorofluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-dichlorofluorene
PubChem CID5067268
Molecular FormulaC13H6Br2Cl2
Molecular Weight392.91 g/mol
Exact Mass389.82
IUPAC Name2,7-dibromo-9,9-dichlorofluorene
SMILESClC1(Cl)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C13H6Br2Cl2/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16,17)11(9)5-7/h1-6H
InChIKeyLGHZLUBSADXXPT-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-dichlorofluorene?
The IUPAC name of 2,7-dibromo-9,9-dichlorofluorene (CID 5067268) is 2,7-dibromo-9,9-dichlorofluorene.
What is the SMILES notation for 2,7-dibromo-9,9-dichlorofluorene?
The canonical SMILES for 2,7-dibromo-9,9-dichlorofluorene is ClC1(Cl)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9,9-dichlorofluorene?
The InChIKey is LGHZLUBSADXXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2Cl2/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16,17)11(9)5-7/h1-6H.
What are the key properties of 2,7-dibromo-9,9-dichlorofluorene?
2,7-dibromo-9,9-dichlorofluorene has a molecular weight of 392.91 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-dichlorofluorene is sourced from PubChem (CID 5067268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).