dichloro-[2-(trichloromethyl)phenyl]phosphane

C7H4Cl5P — CID 54542486

IUPACdichloro-[2-(trichloromethyl)phenyl]phosphane
SMILESClP(Cl)c1ccccc1C(Cl)(Cl)Cl
InChIInChI=1S/C7H4Cl5P/c8-7(9,10)5-3-1-2-4-6(5)13(11)12/h1-4H
InChIKeyZEFFFSLFNWVQFX-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.93
Rot. Bonds1

About dichloro-[2-(trichloromethyl)phenyl]phosphane

dichloro-[2-(trichloromethyl)phenyl]phosphane (PubChem CID 54542486) has the molecular formula C7H4Cl5P and a molecular weight of 296.35 g/mol. Its IUPAC name is dichloro-[2-(trichloromethyl)phenyl]phosphane.

Molecular Properties

Compound Namedichloro-[2-(trichloromethyl)phenyl]phosphane
PubChem CID54542486
Molecular FormulaC7H4Cl5P
Molecular Weight296.35 g/mol
Exact Mass293.85
IUPAC Namedichloro-[2-(trichloromethyl)phenyl]phosphane
SMILESClP(Cl)c1ccccc1C(Cl)(Cl)Cl
InChIInChI=1S/C7H4Cl5P/c8-7(9,10)5-3-1-2-4-6(5)13(11)12/h1-4H
InChIKeyZEFFFSLFNWVQFX-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.93
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'}

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Frequently Asked Questions

What is the IUPAC name of dichloro-[2-(trichloromethyl)phenyl]phosphane?
The IUPAC name of dichloro-[2-(trichloromethyl)phenyl]phosphane (CID 54542486) is dichloro-[2-(trichloromethyl)phenyl]phosphane.
What is the SMILES notation for dichloro-[2-(trichloromethyl)phenyl]phosphane?
The canonical SMILES for dichloro-[2-(trichloromethyl)phenyl]phosphane is ClP(Cl)c1ccccc1C(Cl)(Cl)Cl.
What is the InChIKey of dichloro-[2-(trichloromethyl)phenyl]phosphane?
The InChIKey is ZEFFFSLFNWVQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl5P/c8-7(9,10)5-3-1-2-4-6(5)13(11)12/h1-4H.
What are the key properties of dichloro-[2-(trichloromethyl)phenyl]phosphane?
dichloro-[2-(trichloromethyl)phenyl]phosphane has a molecular weight of 296.35 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[2-(trichloromethyl)phenyl]phosphane is sourced from PubChem (CID 54542486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).