2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate

C6H12F2O5S — CID 19828982

IUPAC2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCOC(F)F
InChIInChI=1S/C6H12F2O5S/c1-14(9,10)13-5-3-11-2-4-12-6(7)8/h6H,2-5H2,1H3
InChIKeyPGVHPNXYQBIKDB-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.22
Rot. Bonds8

About 2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate

2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate (PubChem CID 19828982) has the molecular formula C6H12F2O5S and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate
PubChem CID19828982
Molecular FormulaC6H12F2O5S
Molecular Weight234.22 g/mol
Exact Mass234.04
IUPAC Name2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCOC(F)F
InChIInChI=1S/C6H12F2O5S/c1-14(9,10)13-5-3-11-2-4-12-6(7)8/h6H,2-5H2,1H3
InChIKeyPGVHPNXYQBIKDB-UHFFFAOYSA-N
XLogP0.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methoxyethoxy)ethyl methanesulfonate
CID 3815654
2,2,2-Trifluoroethane sulfonyl-monomethoxypolyethylene glycol
CID 3081694
2-Ethoxyethyl methanesulfonate
CID 15067105
2-(2-(2-Methoxyethoxy)ethoxy)ethyl 2,2,2-trifluoroethane-1-sulfonate
CID 170900580
2-Ethoxyethyl triflate
CID 16050164
2-Methanesulfonyloxyethyl 2,2,2-trifluorethyl ether
CID 18673718
2-Methoxyethoxy trifluoromethanesulfonate
CID 19010437
2-(2-(2-(Pentafluoroethoxy)tetrafluoroethoxy)-2,2-difluoroethoxy)ethyl methane sulfonate
CID 21225292
Triethyloxidanium;trifluoromethanesulfonate
CID 21687948
2-Methoxyethyl trifluoromethanesulfonate
CID 22273493
Lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate
CID 23717802
(2-Butoxy-1,2,2-trifluoroethyl) trifluoromethanesulfonate
CID 53687659

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate?
The IUPAC name of 2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate (CID 19828982) is 2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate?
The canonical SMILES for 2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate is CS(=O)(=O)OCCOCCOC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate?
The InChIKey is PGVHPNXYQBIKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O5S/c1-14(9,10)13-5-3-11-2-4-12-6(7)8/h6H,2-5H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate?
2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate has a molecular weight of 234.22 g/mol, XLogP of 0.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 19828982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).