1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene

C7H6Cl7O3P — CID 71444816

IUPAC1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene
SMILESO=P(OCC(Cl)=CCl)(OCC(Cl)=CCl)C(Cl)(Cl)Cl
InChIInChI=1S/C7H6Cl7O3P/c8-1-5(10)3-16-18(15,7(12,13)14)17-4-6(11)2-9/h1-2H,3-4H2
InChIKeyLOYKSAHYILCMBQ-UHFFFAOYSA-N
MW417.27 g/mol
LogP6.18
Rot. Bonds6

About 1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene

1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene (PubChem CID 71444816) has the molecular formula C7H6Cl7O3P and a molecular weight of 417.27 g/mol. Its IUPAC name is 1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene
PubChem CID71444816
Molecular FormulaC7H6Cl7O3P
Molecular Weight417.27 g/mol
Exact Mass413.79
IUPAC Name1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene
SMILESO=P(OCC(Cl)=CCl)(OCC(Cl)=CCl)C(Cl)(Cl)Cl
InChIInChI=1S/C7H6Cl7O3P/c8-1-5(10)3-16-18(15,7(12,13)14)17-4-6(11)2-9/h1-2H,3-4H2
InChIKeyLOYKSAHYILCMBQ-UHFFFAOYSA-N
XLogP6.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.27
LogP ≤ 56.18
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 1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene?
The IUPAC name of 1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene (CID 71444816) is 1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene is O=P(OCC(Cl)=CCl)(OCC(Cl)=CCl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene?
The InChIKey is LOYKSAHYILCMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl7O3P/c8-1-5(10)3-16-18(15,7(12,13)14)17-4-6(11)2-9/h1-2H,3-4H2.
What are the key properties of 1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene?
1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene has a molecular weight of 417.27 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[2,3-dichloroprop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 71444816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).