2-bromo-7-chloro-9,9-dimethylfluorene

C15H12BrCl — CID 58743144

IUPAC2-bromo-7-chloro-9,9-dimethylfluorene
SMILESCC1(C)c2cc(Cl)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C15H12BrCl/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3
InChIKeyGTKHJVYKTOLTPB-UHFFFAOYSA-N
MW307.62 g/mol
LogP5.41
Rot. Bonds

About 2-bromo-7-chloro-9,9-dimethylfluorene

2-bromo-7-chloro-9,9-dimethylfluorene (PubChem CID 58743144) has the molecular formula C15H12BrCl and a molecular weight of 307.62 g/mol. Its IUPAC name is 2-bromo-7-chloro-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-bromo-7-chloro-9,9-dimethylfluorene
PubChem CID58743144
Molecular FormulaC15H12BrCl
Molecular Weight307.62 g/mol
Exact Mass305.98
IUPAC Name2-bromo-7-chloro-9,9-dimethylfluorene
SMILESCC1(C)c2cc(Cl)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C15H12BrCl/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3
InChIKeyGTKHJVYKTOLTPB-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.62
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-chloro-9,9-dimethylfluorene?
The IUPAC name of 2-bromo-7-chloro-9,9-dimethylfluorene (CID 58743144) is 2-bromo-7-chloro-9,9-dimethylfluorene.
What is the SMILES notation for 2-bromo-7-chloro-9,9-dimethylfluorene?
The canonical SMILES for 2-bromo-7-chloro-9,9-dimethylfluorene is CC1(C)c2cc(Cl)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-7-chloro-9,9-dimethylfluorene?
The InChIKey is GTKHJVYKTOLTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3.
What are the key properties of 2-bromo-7-chloro-9,9-dimethylfluorene?
2-bromo-7-chloro-9,9-dimethylfluorene has a molecular weight of 307.62 g/mol, XLogP of 5.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-chloro-9,9-dimethylfluorene is sourced from PubChem (CID 58743144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).