chloro-cyclohexyl-(dichloromethyl)phosphane

C7H12Cl3P — CID 13354579

IUPACchloro-cyclohexyl-(dichloromethyl)phosphane
SMILESClC(Cl)P(Cl)C1CCCCC1
InChIInChI=1S/C7H12Cl3P/c8-7(9)11(10)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyLGIJKTVBGDGQRO-UHFFFAOYSA-N
MW233.51 g/mol
LogP4.72
Rot. Bonds2

About chloro-cyclohexyl-(dichloromethyl)phosphane

chloro-cyclohexyl-(dichloromethyl)phosphane (PubChem CID 13354579) has the molecular formula C7H12Cl3P and a molecular weight of 233.51 g/mol. Its IUPAC name is chloro-cyclohexyl-(dichloromethyl)phosphane.

Molecular Properties

Compound Namechloro-cyclohexyl-(dichloromethyl)phosphane
PubChem CID13354579
Molecular FormulaC7H12Cl3P
Molecular Weight233.51 g/mol
Exact Mass231.97
IUPAC Namechloro-cyclohexyl-(dichloromethyl)phosphane
SMILESClC(Cl)P(Cl)C1CCCCC1
InChIInChI=1S/C7H12Cl3P/c8-7(9)11(10)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyLGIJKTVBGDGQRO-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.51
LogP ≤ 54.72
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 chloro-cyclohexyl-(dichloromethyl)phosphane?
The IUPAC name of chloro-cyclohexyl-(dichloromethyl)phosphane (CID 13354579) is chloro-cyclohexyl-(dichloromethyl)phosphane.
What is the SMILES notation for chloro-cyclohexyl-(dichloromethyl)phosphane?
The canonical SMILES for chloro-cyclohexyl-(dichloromethyl)phosphane is ClC(Cl)P(Cl)C1CCCCC1.
What is the InChIKey of chloro-cyclohexyl-(dichloromethyl)phosphane?
The InChIKey is LGIJKTVBGDGQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl3P/c8-7(9)11(10)6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of chloro-cyclohexyl-(dichloromethyl)phosphane?
chloro-cyclohexyl-(dichloromethyl)phosphane has a molecular weight of 233.51 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-cyclohexyl-(dichloromethyl)phosphane is sourced from PubChem (CID 13354579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).