3,4-dichloro-1,2,2-triphenylphosphinane

C23H21Cl2P — CID 175020794

IUPAC3,4-dichloro-1,2,2-triphenylphosphinane
SMILESClC1CCP(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1Cl
InChIInChI=1S/C23H21Cl2P/c24-21-16-17-26(20-14-8-3-9-15-20)23(22(21)25,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2
InChIKeyABQMWAGGTVBQJJ-UHFFFAOYSA-N
MW399.30 g/mol
LogP6.36
Rot. Bonds3

About 3,4-dichloro-1,2,2-triphenylphosphinane

3,4-dichloro-1,2,2-triphenylphosphinane (PubChem CID 175020794) has the molecular formula C23H21Cl2P and a molecular weight of 399.30 g/mol. Its IUPAC name is 3,4-dichloro-1,2,2-triphenylphosphinane.

Molecular Properties

Compound Name3,4-dichloro-1,2,2-triphenylphosphinane
PubChem CID175020794
Molecular FormulaC23H21Cl2P
Molecular Weight399.30 g/mol
Exact Mass398.08
IUPAC Name3,4-dichloro-1,2,2-triphenylphosphinane
SMILESClC1CCP(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1Cl
InChIInChI=1S/C23H21Cl2P/c24-21-16-17-26(20-14-8-3-9-15-20)23(22(21)25,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2
InChIKeyABQMWAGGTVBQJJ-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.30
LogP ≤ 56.36
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 3,4-dichloro-1,2,2-triphenylphosphinane?
The IUPAC name of 3,4-dichloro-1,2,2-triphenylphosphinane (CID 175020794) is 3,4-dichloro-1,2,2-triphenylphosphinane.
What is the SMILES notation for 3,4-dichloro-1,2,2-triphenylphosphinane?
The canonical SMILES for 3,4-dichloro-1,2,2-triphenylphosphinane is ClC1CCP(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1Cl.
What is the InChIKey of 3,4-dichloro-1,2,2-triphenylphosphinane?
The InChIKey is ABQMWAGGTVBQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2P/c24-21-16-17-26(20-14-8-3-9-15-20)23(22(21)25,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2.
What are the key properties of 3,4-dichloro-1,2,2-triphenylphosphinane?
3,4-dichloro-1,2,2-triphenylphosphinane has a molecular weight of 399.30 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1,2,2-triphenylphosphinane is sourced from PubChem (CID 175020794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).