2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride

C4H6ClF3O3S — CID 54592756

IUPAC2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOCC(F)(F)F
InChIInChI=1S/C4H6ClF3O3S/c5-12(9,10)2-1-11-3-4(6,7)8/h1-3H2
InChIKeyBLEGLFNPVBSABR-UHFFFAOYSA-N
MW226.60 g/mol
LogP1.13
Rot. Bonds4

About 2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride

2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride (PubChem CID 54592756) has the molecular formula C4H6ClF3O3S and a molecular weight of 226.60 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride
PubChem CID54592756
Molecular FormulaC4H6ClF3O3S
Molecular Weight226.60 g/mol
Exact Mass225.97
IUPAC Name2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOCC(F)(F)F
InChIInChI=1S/C4H6ClF3O3S/c5-12(9,10)2-1-11-3-4(6,7)8/h1-3H2
InChIKeyBLEGLFNPVBSABR-UHFFFAOYSA-N
XLogP1.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.60
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride (CID 54592756) is 2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride is O=S(=O)(Cl)CCOCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride?
The InChIKey is BLEGLFNPVBSABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF3O3S/c5-12(9,10)2-1-11-3-4(6,7)8/h1-3H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride?
2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride has a molecular weight of 226.60 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)ethanesulfonyl chloride is sourced from PubChem (CID 54592756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).