[2-(tribromomethyl)phenyl]phosphane

C7H6Br3P — CID 19369025

IUPAC[2-(tribromomethyl)phenyl]phosphane
SMILESPc1ccccc1C(Br)(Br)Br
InChIInChI=1S/C7H6Br3P/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2
InChIKeyQNHDSNJFLNAHPP-UHFFFAOYSA-N
MW360.81 g/mol
LogP3.48
Rot. Bonds

About [2-(tribromomethyl)phenyl]phosphane

[2-(tribromomethyl)phenyl]phosphane (PubChem CID 19369025) has the molecular formula C7H6Br3P and a molecular weight of 360.81 g/mol. Its IUPAC name is [2-(tribromomethyl)phenyl]phosphane.

Molecular Properties

Compound Name[2-(tribromomethyl)phenyl]phosphane
PubChem CID19369025
Molecular FormulaC7H6Br3P
Molecular Weight360.81 g/mol
Exact Mass357.78
IUPAC Name[2-(tribromomethyl)phenyl]phosphane
SMILESPc1ccccc1C(Br)(Br)Br
InChIInChI=1S/C7H6Br3P/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2
InChIKeyQNHDSNJFLNAHPP-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2-(tribromomethyl)phenyl]phosphane 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-(tribromomethyl)phenyl]phosphane?
The IUPAC name of [2-(tribromomethyl)phenyl]phosphane (CID 19369025) is [2-(tribromomethyl)phenyl]phosphane.
What is the SMILES notation for [2-(tribromomethyl)phenyl]phosphane?
The canonical SMILES for [2-(tribromomethyl)phenyl]phosphane is Pc1ccccc1C(Br)(Br)Br.
What is the InChIKey of [2-(tribromomethyl)phenyl]phosphane?
The InChIKey is QNHDSNJFLNAHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br3P/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2.
What are the key properties of [2-(tribromomethyl)phenyl]phosphane?
[2-(tribromomethyl)phenyl]phosphane has a molecular weight of 360.81 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tribromomethyl)phenyl]phosphane is sourced from PubChem (CID 19369025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).