1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene

C3H3Cl4O2P — CID 12769894

IUPAC1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene
SMILESCC(OP(=O)(Cl)Cl)=C(Cl)Cl
InChIInChI=1S/C3H3Cl4O2P/c1-2(3(4)5)9-10(6,7)8/h1H3
InChIKeyZPGLYNNONOTBPX-UHFFFAOYSA-N
MW243.84 g/mol
LogP4.26
Rot. Bonds2

About 1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene

1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene (PubChem CID 12769894) has the molecular formula C3H3Cl4O2P and a molecular weight of 243.84 g/mol. Its IUPAC name is 1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene.

Molecular Properties

Compound Name1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene
PubChem CID12769894
Molecular FormulaC3H3Cl4O2P
Molecular Weight243.84 g/mol
Exact Mass241.86
IUPAC Name1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene
SMILESCC(OP(=O)(Cl)Cl)=C(Cl)Cl
InChIInChI=1S/C3H3Cl4O2P/c1-2(3(4)5)9-10(6,7)8/h1H3
InChIKeyZPGLYNNONOTBPX-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.84
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene?
The IUPAC name of 1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene (CID 12769894) is 1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene.
What is the SMILES notation for 1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene?
The canonical SMILES for 1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene is CC(OP(=O)(Cl)Cl)=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene?
The InChIKey is ZPGLYNNONOTBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl4O2P/c1-2(3(4)5)9-10(6,7)8/h1H3.
What are the key properties of 1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene?
1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene has a molecular weight of 243.84 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-dichlorophosphoryloxyprop-1-ene is sourced from PubChem (CID 12769894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).