2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane

C6H15ClNO3P — CID 175183070

IUPAC2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(NCl)OC(C)C
InChIInChI=1S/C6H15ClNO3P/c1-5(2)10-12(9,8-7)11-6(3)4/h5-6H,1-4H3,(H,8,9)
InChIKeyMUVGOSLXIWCJSP-UHFFFAOYSA-N
MW215.62 g/mol
LogP2.69
Rot. Bonds5

About 2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane

2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 175183070) has the molecular formula C6H15ClNO3P and a molecular weight of 215.62 g/mol. Its IUPAC name is 2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane
PubChem CID175183070
Molecular FormulaC6H15ClNO3P
Molecular Weight215.62 g/mol
Exact Mass215.05
IUPAC Name2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(NCl)OC(C)C
InChIInChI=1S/C6H15ClNO3P/c1-5(2)10-12(9,8-7)11-6(3)4/h5-6H,1-4H3,(H,8,9)
InChIKeyMUVGOSLXIWCJSP-UHFFFAOYSA-N
XLogP2.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.62
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane (CID 175183070) is 2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane is CC(C)OP(=O)(NCl)OC(C)C.
What is the InChIKey of 2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is MUVGOSLXIWCJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClNO3P/c1-5(2)10-12(9,8-7)11-6(3)4/h5-6H,1-4H3,(H,8,9).
What are the key properties of 2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane?
2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 215.62 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 175183070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).