2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene

C17H18BrOP — CID 169262128

IUPAC2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(P(C)(C)=O)cc21
InChIInChI=1S/C17H18BrOP/c1-17(2)15-9-11(18)5-7-13(15)14-8-6-12(10-16(14)17)20(3,4)19/h5-10H,1-4H3
InChIKeyAGBMNOWGFUIESV-UHFFFAOYSA-N
MW349.21 g/mol
LogP5.00
Rot. Bonds1

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

2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene (PubChem CID 169262128) has the molecular formula C17H18BrOP and a molecular weight of 349.21 g/mol. Its IUPAC name is 2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene
PubChem CID169262128
Molecular FormulaC17H18BrOP
Molecular Weight349.21 g/mol
Exact Mass348.03
IUPAC Name2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(P(C)(C)=O)cc21
InChIInChI=1S/C17H18BrOP/c1-17(2)15-9-11(18)5-7-13(15)14-8-6-12(10-16(14)17)20(3,4)19/h5-10H,1-4H3
InChIKeyAGBMNOWGFUIESV-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.21
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene?
The IUPAC name of 2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene (CID 169262128) is 2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene.
What is the SMILES notation for 2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene?
The canonical SMILES for 2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene is CC1(C)c2cc(Br)ccc2-c2ccc(P(C)(C)=O)cc21.
What is the InChIKey of 2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene?
The InChIKey is AGBMNOWGFUIESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrOP/c1-17(2)15-9-11(18)5-7-13(15)14-8-6-12(10-16(14)17)20(3,4)19/h5-10H,1-4H3.
What are the key properties of 2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene?
2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene has a molecular weight of 349.21 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene is sourced from PubChem (CID 169262128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).