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

C12H23F3O8S — CID 118110418

IUPAC2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCOCCOCCOCCOC(F)(F)F
InChIInChI=1S/C12H23F3O8S/c1-24(16,17)23-11-9-21-7-5-19-3-2-18-4-6-20-8-10-22-12(13,14)15/h2-11H2,1H3
InChIKeyFDXGBGGRGZZOCC-UHFFFAOYSA-N
MW384.37 g/mol
LogP0.57
Rot. Bonds16

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

2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate (PubChem CID 118110418) has the molecular formula C12H23F3O8S and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
PubChem CID118110418
Molecular FormulaC12H23F3O8S
Molecular Weight384.37 g/mol
Exact Mass384.11
IUPAC Name2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCOCCOCCOCCOC(F)(F)F
InChIInChI=1S/C12H23F3O8S/c1-24(16,17)23-11-9-21-7-5-19-3-2-18-4-6-20-8-10-22-12(13,14)15/h2-11H2,1H3
InChIKeyFDXGBGGRGZZOCC-UHFFFAOYSA-N
XLogP0.57
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The IUPAC name of 2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate (CID 118110418) is 2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The canonical SMILES for 2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate is CS(=O)(=O)OCCOCCOCCOCCOCCOC(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The InChIKey is FDXGBGGRGZZOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O8S/c1-24(16,17)23-11-9-21-7-5-19-3-2-18-4-6-20-8-10-22-12(13,14)15/h2-11H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate has a molecular weight of 384.37 g/mol, XLogP of 0.57, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 118110418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).