2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate

C9H17F3O6S — CID 170900580

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate
SMILESCOCCOCCOCCOS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C9H17F3O6S/c1-15-2-3-16-4-5-17-6-7-18-19(13,14)8-9(10,11)12/h2-8H2,1H3
InChIKeyWRTVFYZFRHAOSH-UHFFFAOYSA-N
MW310.29 g/mol
LogP0.57
Rot. Bonds11

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate (PubChem CID 170900580) has the molecular formula C9H17F3O6S and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate
PubChem CID170900580
Molecular FormulaC9H17F3O6S
Molecular Weight310.29 g/mol
Exact Mass310.07
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate
SMILESCOCCOCCOCCOS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C9H17F3O6S/c1-15-2-3-16-4-5-17-6-7-18-19(13,14)8-9(10,11)12/h2-8H2,1H3
InChIKeyWRTVFYZFRHAOSH-UHFFFAOYSA-N
XLogP0.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045107
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045111
2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 59816255
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
4-(2-methoxyethoxy)butyl trifluoromethanesulfonate
CID 139845363
3-(2,2,2-trifluoroethylsulfonyloxy)butyl 2,2,2-trifluoroethanesulfonate
CID 21102771
sodium 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl sulfate
CID 20775345
(2-fluoro-2-methylpropyl) 2,2,2-trifluoroethanesulfonate
CID 146733331
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate (CID 170900580) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate is COCCOCCOCCOS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate?
The InChIKey is WRTVFYZFRHAOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O6S/c1-15-2-3-16-4-5-17-6-7-18-19(13,14)8-9(10,11)12/h2-8H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate has a molecular weight of 310.29 g/mol, XLogP of 0.57, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate is sourced from PubChem (CID 170900580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).