3-dichlorophosphorylprop-1-ene;phosphoryl trichloride

C3H5Cl5O2P2 — CID 174369495

IUPAC3-dichlorophosphorylprop-1-ene;phosphoryl trichloride
SMILESC=CCP(=O)(Cl)Cl.O=P(Cl)(Cl)Cl
InChIInChI=1S/C3H5Cl2OP.Cl3OP/c1-2-3-7(4,5)6;1-5(2,3)4/h2H,1,3H2;
InChIKeyAPXKHEHYLKHXBZ-UHFFFAOYSA-N
MW312.28 g/mol
LogP5.65
Rot. Bonds2

About 3-dichlorophosphorylprop-1-ene;phosphoryl trichloride

3-dichlorophosphorylprop-1-ene;phosphoryl trichloride (PubChem CID 174369495) has the molecular formula C3H5Cl5O2P2 and a molecular weight of 312.28 g/mol. Its IUPAC name is 3-dichlorophosphorylprop-1-ene;phosphoryl trichloride.

Molecular Properties

Compound Name3-dichlorophosphorylprop-1-ene;phosphoryl trichloride
PubChem CID174369495
Molecular FormulaC3H5Cl5O2P2
Molecular Weight312.28 g/mol
Exact Mass309.82
IUPAC Name3-dichlorophosphorylprop-1-ene;phosphoryl trichloride
SMILESC=CCP(=O)(Cl)Cl.O=P(Cl)(Cl)Cl
InChIInChI=1S/C3H5Cl2OP.Cl3OP/c1-2-3-7(4,5)6;1-5(2,3)4/h2H,1,3H2;
InChIKeyAPXKHEHYLKHXBZ-UHFFFAOYSA-N
XLogP5.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.28
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene
CID 54007832
dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane
CID 87403767
bis(prop-2-enyl)phosphinic acid;hydrochloride
CID 88719612
3-diethylphosphorylprop-1-ene
CID 13431646
acetylene;prop-2-enylphosphonic acid
CID 175361195
phosphoryl trichloride;sulfane
CID 159768251
3-diethoxyphosphorylprop-1-ene
CID 573014
4-dichlorophosphoryl-4,4-difluorobut-1-ene
CID 146291479
azane;ethanol;prop-2-enylphosphonic acid
CID 174385438
1,1-dichloropent-1-en-2-yloxy(prop-2-enyl)phosphinic acid
CID 88760210
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
carbonochloridic acid;prop-2-enyl dihydrogen phosphate
CID 174647685

Frequently Asked Questions

What is the IUPAC name of 3-dichlorophosphorylprop-1-ene;phosphoryl trichloride?
The IUPAC name of 3-dichlorophosphorylprop-1-ene;phosphoryl trichloride (CID 174369495) is 3-dichlorophosphorylprop-1-ene;phosphoryl trichloride.
What is the SMILES notation for 3-dichlorophosphorylprop-1-ene;phosphoryl trichloride?
The canonical SMILES for 3-dichlorophosphorylprop-1-ene;phosphoryl trichloride is C=CCP(=O)(Cl)Cl.O=P(Cl)(Cl)Cl.
What is the InChIKey of 3-dichlorophosphorylprop-1-ene;phosphoryl trichloride?
The InChIKey is APXKHEHYLKHXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2OP.Cl3OP/c1-2-3-7(4,5)6;1-5(2,3)4/h2H,1,3H2;.
What are the key properties of 3-dichlorophosphorylprop-1-ene;phosphoryl trichloride?
3-dichlorophosphorylprop-1-ene;phosphoryl trichloride has a molecular weight of 312.28 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dichlorophosphorylprop-1-ene;phosphoryl trichloride is sourced from PubChem (CID 174369495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).