2-bromo-9,9-dibutylfluorene

C21H25Br — CID 22381647

IUPAC2-bromo-9,9-dibutylfluorene
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C21H25Br/c1-3-5-13-21(14-6-4-2)19-10-8-7-9-17(19)18-12-11-16(22)15-20(18)21/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyAVCNDQUBVOMMSL-UHFFFAOYSA-N
MW357.34 g/mol
LogP7.10
Rot. Bonds6

About 2-bromo-9,9-dibutylfluorene

2-bromo-9,9-dibutylfluorene (PubChem CID 22381647) has the molecular formula C21H25Br and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-bromo-9,9-dibutylfluorene.

Molecular Properties

Compound Name2-bromo-9,9-dibutylfluorene
PubChem CID22381647
Molecular FormulaC21H25Br
Molecular Weight357.34 g/mol
Exact Mass356.11
IUPAC Name2-bromo-9,9-dibutylfluorene
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C21H25Br/c1-3-5-13-21(14-6-4-2)19-10-8-7-9-17(19)18-12-11-16(22)15-20(18)21/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyAVCNDQUBVOMMSL-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.34
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-bromo-9,9-dibutylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-dibutylfluorene?
The IUPAC name of 2-bromo-9,9-dibutylfluorene (CID 22381647) is 2-bromo-9,9-dibutylfluorene.
What is the SMILES notation for 2-bromo-9,9-dibutylfluorene?
The canonical SMILES for 2-bromo-9,9-dibutylfluorene is CCCCC1(CCCC)c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9,9-dibutylfluorene?
The InChIKey is AVCNDQUBVOMMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Br/c1-3-5-13-21(14-6-4-2)19-10-8-7-9-17(19)18-12-11-16(22)15-20(18)21/h7-12,15H,3-6,13-14H2,1-2H3.
What are the key properties of 2-bromo-9,9-dibutylfluorene?
2-bromo-9,9-dibutylfluorene has a molecular weight of 357.34 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-dibutylfluorene is sourced from PubChem (CID 22381647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).