1-[propoxy(trichloromethyl)phosphoryl]oxypropane

C7H14Cl3O3P — CID 12500063

IUPAC1-[propoxy(trichloromethyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(OCCC)C(Cl)(Cl)Cl
InChIInChI=1S/C7H14Cl3O3P/c1-3-5-12-14(11,7(8,9)10)13-6-4-2/h3-6H2,1-2H3
InChIKeyKIKFXIHMLRIZOE-UHFFFAOYSA-N
MW283.52 g/mol
LogP4.36
Rot. Bonds6

About 1-[propoxy(trichloromethyl)phosphoryl]oxypropane

1-[propoxy(trichloromethyl)phosphoryl]oxypropane (PubChem CID 12500063) has the molecular formula C7H14Cl3O3P and a molecular weight of 283.52 g/mol. Its IUPAC name is 1-[propoxy(trichloromethyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[propoxy(trichloromethyl)phosphoryl]oxypropane
PubChem CID12500063
Molecular FormulaC7H14Cl3O3P
Molecular Weight283.52 g/mol
Exact Mass281.97
IUPAC Name1-[propoxy(trichloromethyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(OCCC)C(Cl)(Cl)Cl
InChIInChI=1S/C7H14Cl3O3P/c1-3-5-12-14(11,7(8,9)10)13-6-4-2/h3-6H2,1-2H3
InChIKeyKIKFXIHMLRIZOE-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[propoxy(trichloromethyl)phosphoryl]oxypropane?
The IUPAC name of 1-[propoxy(trichloromethyl)phosphoryl]oxypropane (CID 12500063) is 1-[propoxy(trichloromethyl)phosphoryl]oxypropane.
What is the SMILES notation for 1-[propoxy(trichloromethyl)phosphoryl]oxypropane?
The canonical SMILES for 1-[propoxy(trichloromethyl)phosphoryl]oxypropane is CCCOP(=O)(OCCC)C(Cl)(Cl)Cl.
What is the InChIKey of 1-[propoxy(trichloromethyl)phosphoryl]oxypropane?
The InChIKey is KIKFXIHMLRIZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl3O3P/c1-3-5-12-14(11,7(8,9)10)13-6-4-2/h3-6H2,1-2H3.
What are the key properties of 1-[propoxy(trichloromethyl)phosphoryl]oxypropane?
1-[propoxy(trichloromethyl)phosphoryl]oxypropane has a molecular weight of 283.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propoxy(trichloromethyl)phosphoryl]oxypropane is sourced from PubChem (CID 12500063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).