2-(trifluoromethoxy)ethanesulfonyl chloride

C3H4ClF3O3S — CID 43811026

IUPAC2-(trifluoromethoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOC(F)(F)F
InChIInChI=1S/C3H4ClF3O3S/c4-11(8,9)2-1-10-3(5,6)7/h1-2H2
InChIKeyQAMHFLCOBQQOIE-UHFFFAOYSA-N
MW212.58 g/mol
LogP1.09
Rot. Bonds3

About 2-(trifluoromethoxy)ethanesulfonyl chloride

2-(trifluoromethoxy)ethanesulfonyl chloride (PubChem CID 43811026) has the molecular formula C3H4ClF3O3S and a molecular weight of 212.58 g/mol. Its IUPAC name is 2-(trifluoromethoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(trifluoromethoxy)ethanesulfonyl chloride
PubChem CID43811026
Molecular FormulaC3H4ClF3O3S
Molecular Weight212.58 g/mol
Exact Mass211.95
IUPAC Name2-(trifluoromethoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOC(F)(F)F
InChIInChI=1S/C3H4ClF3O3S/c4-11(8,9)2-1-10-3(5,6)7/h1-2H2
InChIKeyQAMHFLCOBQQOIE-UHFFFAOYSA-N
XLogP1.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.58
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)ethanesulfonyl chloride?
The IUPAC name of 2-(trifluoromethoxy)ethanesulfonyl chloride (CID 43811026) is 2-(trifluoromethoxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(trifluoromethoxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(trifluoromethoxy)ethanesulfonyl chloride is O=S(=O)(Cl)CCOC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)ethanesulfonyl chloride?
The InChIKey is QAMHFLCOBQQOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClF3O3S/c4-11(8,9)2-1-10-3(5,6)7/h1-2H2.
What are the key properties of 2-(trifluoromethoxy)ethanesulfonyl chloride?
2-(trifluoromethoxy)ethanesulfonyl chloride has a molecular weight of 212.58 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)ethanesulfonyl chloride is sourced from PubChem (CID 43811026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).