3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene

C6H9Cl2O2P — CID 54007832

IUPAC3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene
SMILESC=CCP(C)(=O)OC=C(Cl)Cl
InChIInChI=1S/C6H9Cl2O2P/c1-3-4-11(2,9)10-5-6(7)8/h3,5H,1,4H2,2H3
InChIKeyKQDKJZCTCQEXGW-UHFFFAOYSA-N
MW215.02 g/mol
LogP3.37
Rot. Bonds4

About 3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene

3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene (PubChem CID 54007832) has the molecular formula C6H9Cl2O2P and a molecular weight of 215.02 g/mol. Its IUPAC name is 3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene.

Molecular Properties

Compound Name3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene
PubChem CID54007832
Molecular FormulaC6H9Cl2O2P
Molecular Weight215.02 g/mol
Exact Mass213.97
IUPAC Name3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene
SMILESC=CCP(C)(=O)OC=C(Cl)Cl
InChIInChI=1S/C6H9Cl2O2P/c1-3-4-11(2,9)10-5-6(7)8/h3,5H,1,4H2,2H3
InChIKeyKQDKJZCTCQEXGW-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.02
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-dichlorophosphorylprop-1-ene;phosphoryl trichloride
CID 174369495
bis(prop-2-enyl)phosphinic acid;hydrochloride
CID 88719612
1,1-dichloropent-1-en-2-yloxy(prop-2-enyl)phosphinic acid
CID 88760210
3-diethoxyphosphorylprop-1-ene
CID 573014
azane;ethanol;prop-2-enylphosphonic acid
CID 174385438
acetylene;prop-2-enylphosphonic acid
CID 175361195
3-diethylphosphorylprop-1-ene
CID 13431646
tert-butyl 2,2-dichloroethenyl methyl phosphate
CID 21421354
ethoxy(prop-2-enyl)phosphinate
CID 71365133
prop-2-enyl 2-dimethylphosphorylacetate
CID 89403002
carbonochloridic acid;prop-2-enyl dihydrogen phosphate
CID 174647685
2,2-dichloroethenyl bis(2-methyl-2-nitropropyl) phosphate
CID 134109582

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene?
The IUPAC name of 3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene (CID 54007832) is 3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene.
What is the SMILES notation for 3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene?
The canonical SMILES for 3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene is C=CCP(C)(=O)OC=C(Cl)Cl.
What is the InChIKey of 3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene?
The InChIKey is KQDKJZCTCQEXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2O2P/c1-3-4-11(2,9)10-5-6(7)8/h3,5H,1,4H2,2H3.
What are the key properties of 3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene?
3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene has a molecular weight of 215.02 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dichloroethenoxy(methyl)phosphoryl]prop-1-ene is sourced from PubChem (CID 54007832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).