3-bromo-9,9-dimethylfluorene

C15H13Br — CID 59629661

IUPAC3-bromo-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C15H13Br/c1-15(2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15/h3-9H,1-2H3
InChIKeyVECLPBKDHAALGQ-UHFFFAOYSA-N
MW273.17 g/mol
LogP4.76
Rot. Bonds

About 3-bromo-9,9-dimethylfluorene

3-bromo-9,9-dimethylfluorene (PubChem CID 59629661) has the molecular formula C15H13Br and a molecular weight of 273.17 g/mol. Its IUPAC name is 3-bromo-9,9-dimethylfluorene.

Molecular Properties

Compound Name3-bromo-9,9-dimethylfluorene
PubChem CID59629661
Molecular FormulaC15H13Br
Molecular Weight273.17 g/mol
Exact Mass272.02
IUPAC Name3-bromo-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C15H13Br/c1-15(2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15/h3-9H,1-2H3
InChIKeyVECLPBKDHAALGQ-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9,9-dimethylfluorene?
The IUPAC name of 3-bromo-9,9-dimethylfluorene (CID 59629661) is 3-bromo-9,9-dimethylfluorene.
What is the SMILES notation for 3-bromo-9,9-dimethylfluorene?
The canonical SMILES for 3-bromo-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2cc(Br)ccc21.
What is the InChIKey of 3-bromo-9,9-dimethylfluorene?
The InChIKey is VECLPBKDHAALGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br/c1-15(2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15/h3-9H,1-2H3.
What are the key properties of 3-bromo-9,9-dimethylfluorene?
3-bromo-9,9-dimethylfluorene has a molecular weight of 273.17 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9,9-dimethylfluorene is sourced from PubChem (CID 59629661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).