dichloro(1-chlorobutoxy)phosphane

C4H8Cl3OP — CID 14591275

IUPACdichloro(1-chlorobutoxy)phosphane
SMILESCCCC(Cl)OP(Cl)Cl
InChIInChI=1S/C4H8Cl3OP/c1-2-3-4(5)8-9(6)7/h4H,2-3H2,1H3
InChIKeyCIVRBNXOKWYGOE-UHFFFAOYSA-N
MW209.44 g/mol
LogP4.07
Rot. Bonds4

About dichloro(1-chlorobutoxy)phosphane

dichloro(1-chlorobutoxy)phosphane (PubChem CID 14591275) has the molecular formula C4H8Cl3OP and a molecular weight of 209.44 g/mol. Its IUPAC name is dichloro(1-chlorobutoxy)phosphane.

Molecular Properties

Compound Namedichloro(1-chlorobutoxy)phosphane
PubChem CID14591275
Molecular FormulaC4H8Cl3OP
Molecular Weight209.44 g/mol
Exact Mass207.94
IUPAC Namedichloro(1-chlorobutoxy)phosphane
SMILESCCCC(Cl)OP(Cl)Cl
InChIInChI=1S/C4H8Cl3OP/c1-2-3-4(5)8-9(6)7/h4H,2-3H2,1H3
InChIKeyCIVRBNXOKWYGOE-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dichloro(1-chlorobutoxy)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 dichloro(1-chlorobutoxy)phosphane?
The IUPAC name of dichloro(1-chlorobutoxy)phosphane (CID 14591275) is dichloro(1-chlorobutoxy)phosphane.
What is the SMILES notation for dichloro(1-chlorobutoxy)phosphane?
The canonical SMILES for dichloro(1-chlorobutoxy)phosphane is CCCC(Cl)OP(Cl)Cl.
What is the InChIKey of dichloro(1-chlorobutoxy)phosphane?
The InChIKey is CIVRBNXOKWYGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl3OP/c1-2-3-4(5)8-9(6)7/h4H,2-3H2,1H3.
What are the key properties of dichloro(1-chlorobutoxy)phosphane?
dichloro(1-chlorobutoxy)phosphane has a molecular weight of 209.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(1-chlorobutoxy)phosphane is sourced from PubChem (CID 14591275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).