chloro-(1-chloroethyl)-propan-2-ylphosphane

C5H11Cl2P — CID 174764448

IUPACchloro-(1-chloroethyl)-propan-2-ylphosphane
SMILESCC(C)P(Cl)C(C)Cl
InChIInChI=1S/C5H11Cl2P/c1-4(2)8(7)5(3)6/h4-5H,1-3H3
InChIKeyGILIPDVYBLMGQU-UHFFFAOYSA-N
MW173.02 g/mol
LogP3.62
Rot. Bonds2

About chloro-(1-chloroethyl)-propan-2-ylphosphane

chloro-(1-chloroethyl)-propan-2-ylphosphane (PubChem CID 174764448) has the molecular formula C5H11Cl2P and a molecular weight of 173.02 g/mol. Its IUPAC name is chloro-(1-chloroethyl)-propan-2-ylphosphane.

Molecular Properties

Compound Namechloro-(1-chloroethyl)-propan-2-ylphosphane
PubChem CID174764448
Molecular FormulaC5H11Cl2P
Molecular Weight173.02 g/mol
Exact Mass172.00
IUPAC Namechloro-(1-chloroethyl)-propan-2-ylphosphane
SMILESCC(C)P(Cl)C(C)Cl
InChIInChI=1S/C5H11Cl2P/c1-4(2)8(7)5(3)6/h4-5H,1-3H3
InChIKeyGILIPDVYBLMGQU-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.02
LogP ≤ 53.62
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 chloro-(1-chloroethyl)-propan-2-ylphosphane 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 chloro-(1-chloroethyl)-propan-2-ylphosphane?
The IUPAC name of chloro-(1-chloroethyl)-propan-2-ylphosphane (CID 174764448) is chloro-(1-chloroethyl)-propan-2-ylphosphane.
What is the SMILES notation for chloro-(1-chloroethyl)-propan-2-ylphosphane?
The canonical SMILES for chloro-(1-chloroethyl)-propan-2-ylphosphane is CC(C)P(Cl)C(C)Cl.
What is the InChIKey of chloro-(1-chloroethyl)-propan-2-ylphosphane?
The InChIKey is GILIPDVYBLMGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2P/c1-4(2)8(7)5(3)6/h4-5H,1-3H3.
What are the key properties of chloro-(1-chloroethyl)-propan-2-ylphosphane?
chloro-(1-chloroethyl)-propan-2-ylphosphane has a molecular weight of 173.02 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(1-chloroethyl)-propan-2-ylphosphane is sourced from PubChem (CID 174764448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).