1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane

C6H8Cl2F3O3P — CID 13202560

IUPAC1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(OC=C(Cl)Cl)C(F)(F)F
InChIInChI=1S/C6H8Cl2F3O3P/c1-2-3-13-15(12,6(9,10)11)14-4-5(7)8/h4H,2-3H2,1H3
InChIKeyKNTOOXLZPFGWLG-UHFFFAOYSA-N
MW287.00 g/mol
LogP4.42
Rot. Bonds5

About 1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane

1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane (PubChem CID 13202560) has the molecular formula C6H8Cl2F3O3P and a molecular weight of 287.00 g/mol. Its IUPAC name is 1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane
PubChem CID13202560
Molecular FormulaC6H8Cl2F3O3P
Molecular Weight287.00 g/mol
Exact Mass285.95
IUPAC Name1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(OC=C(Cl)Cl)C(F)(F)F
InChIInChI=1S/C6H8Cl2F3O3P/c1-2-3-13-15(12,6(9,10)11)14-4-5(7)8/h4H,2-3H2,1H3
InChIKeyKNTOOXLZPFGWLG-UHFFFAOYSA-N
XLogP4.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.00
LogP ≤ 54.42
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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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane?
The IUPAC name of 1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane (CID 13202560) is 1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane.
What is the SMILES notation for 1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane?
The canonical SMILES for 1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane is CCCOP(=O)(OC=C(Cl)Cl)C(F)(F)F.
What is the InChIKey of 1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane?
The InChIKey is KNTOOXLZPFGWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2F3O3P/c1-2-3-13-15(12,6(9,10)11)14-4-5(7)8/h4H,2-3H2,1H3.
What are the key properties of 1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane?
1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane has a molecular weight of 287.00 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dichloroethenoxy(trifluoromethyl)phosphoryl]oxypropane is sourced from PubChem (CID 13202560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).