2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane

C7H13Cl2O3P — CID 14441041

IUPAC2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane
SMILESCCOP(=O)(OC=C(Cl)Cl)C(C)C
InChIInChI=1S/C7H13Cl2O3P/c1-4-11-13(10,6(2)3)12-5-7(8)9/h5-6H,4H2,1-3H3
InChIKeySEIFGPCDBQYDRJ-UHFFFAOYSA-N
MW247.06 g/mol
LogP3.92
Rot. Bonds5

About 2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane

2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane (PubChem CID 14441041) has the molecular formula C7H13Cl2O3P and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane.

Molecular Properties

Compound Name2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane
PubChem CID14441041
Molecular FormulaC7H13Cl2O3P
Molecular Weight247.06 g/mol
Exact Mass246.00
IUPAC Name2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane
SMILESCCOP(=O)(OC=C(Cl)Cl)C(C)C
InChIInChI=1S/C7H13Cl2O3P/c1-4-11-13(10,6(2)3)12-5-7(8)9/h5-6H,4H2,1-3H3
InChIKeySEIFGPCDBQYDRJ-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dichlorovinyl diethyl phosphate
CID 66145
Phosphoric acid, 2,2-dichloroethenyl dipropyl ester
CID 120168
2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate
CID 120305
Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester
CID 199939
2,2-Dichloroethenyl methyl propyl phosphate
CID 199940
2-Chloroethyl 2,2-dichloroethenyl ethylphosphonate
CID 44150837
Phosphonic acid, (1-chloroethenyl)-, diethyl ester
CID 11481045
OO-Dime dichlorovinylphosphonate
CID 12525121
(2-Chloro-allyl)-phosphonic acid diethyl ester
CID 3614432
Dipropyl trichloromethylphosphonate
CID 12500063
2,2-Dichloroethenyl propyl (trifluoromethyl)phosphonate
CID 13202560
Diethyl (2,2-dichloroethenyl)phosphonate
CID 12525122

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane?
The IUPAC name of 2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane (CID 14441041) is 2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane.
What is the SMILES notation for 2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane?
The canonical SMILES for 2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane is CCOP(=O)(OC=C(Cl)Cl)C(C)C.
What is the InChIKey of 2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane?
The InChIKey is SEIFGPCDBQYDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2O3P/c1-4-11-13(10,6(2)3)12-5-7(8)9/h5-6H,4H2,1-3H3.
What are the key properties of 2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane?
2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane has a molecular weight of 247.06 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dichloroethenoxy(ethoxy)phosphoryl]propane is sourced from PubChem (CID 14441041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).