2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane

C7H10ClF6O4P — CID 10246542

IUPAC2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
SMILESO=P(COCCCl)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H10ClF6O4P/c8-1-2-16-5-19(15,17-3-6(9,10)11)18-4-7(12,13)14/h1-5H2
InChIKeyMLQUXJKWKICOHK-UHFFFAOYSA-N
MW338.57 g/mol
LogP3.55
Rot. Bonds8

About 2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane

2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane (PubChem CID 10246542) has the molecular formula C7H10ClF6O4P and a molecular weight of 338.57 g/mol. Its IUPAC name is 2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
PubChem CID10246542
Molecular FormulaC7H10ClF6O4P
Molecular Weight338.57 g/mol
Exact Mass337.99
IUPAC Name2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
SMILESO=P(COCCCl)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H10ClF6O4P/c8-1-2-16-5-19(15,17-3-6(9,10)11)18-4-7(12,13)14/h1-5H2
InChIKeyMLQUXJKWKICOHK-UHFFFAOYSA-N
XLogP3.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.57
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
The IUPAC name of 2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane (CID 10246542) is 2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
The canonical SMILES for 2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane is O=P(COCCCl)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
The InChIKey is MLQUXJKWKICOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF6O4P/c8-1-2-16-5-19(15,17-3-6(9,10)11)18-4-7(12,13)14/h1-5H2.
What are the key properties of 2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane has a molecular weight of 338.57 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloroethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane is sourced from PubChem (CID 10246542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).