2-chlorosulfonyloxy-1,1,1-trifluoroethane

C2H2ClF3O3S — CID 14381796

IUPAC2-chlorosulfonyloxy-1,1,1-trifluoroethane
SMILESO=S(=O)(Cl)OCC(F)(F)F
InChIInChI=1S/C2H2ClF3O3S/c3-10(7,8)9-1-2(4,5)6/h1H2
InChIKeyXCDHDCRSARQIQT-UHFFFAOYSA-N
MW198.55 g/mol
LogP1.05
Rot. Bonds2

About 2-chlorosulfonyloxy-1,1,1-trifluoroethane

2-chlorosulfonyloxy-1,1,1-trifluoroethane (PubChem CID 14381796) has the molecular formula C2H2ClF3O3S and a molecular weight of 198.55 g/mol. Its IUPAC name is 2-chlorosulfonyloxy-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-chlorosulfonyloxy-1,1,1-trifluoroethane
PubChem CID14381796
Molecular FormulaC2H2ClF3O3S
Molecular Weight198.55 g/mol
Exact Mass197.94
IUPAC Name2-chlorosulfonyloxy-1,1,1-trifluoroethane
SMILESO=S(=O)(Cl)OCC(F)(F)F
InChIInChI=1S/C2H2ClF3O3S/c3-10(7,8)9-1-2(4,5)6/h1H2
InChIKeyXCDHDCRSARQIQT-UHFFFAOYSA-N
XLogP1.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.55
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chlorosulfonyloxy-1,1,1-trifluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chlorosulfonyloxy-1,1,1-trifluoroethane?
The IUPAC name of 2-chlorosulfonyloxy-1,1,1-trifluoroethane (CID 14381796) is 2-chlorosulfonyloxy-1,1,1-trifluoroethane.
What is the SMILES notation for 2-chlorosulfonyloxy-1,1,1-trifluoroethane?
The canonical SMILES for 2-chlorosulfonyloxy-1,1,1-trifluoroethane is O=S(=O)(Cl)OCC(F)(F)F.
What is the InChIKey of 2-chlorosulfonyloxy-1,1,1-trifluoroethane?
The InChIKey is XCDHDCRSARQIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClF3O3S/c3-10(7,8)9-1-2(4,5)6/h1H2.
What are the key properties of 2-chlorosulfonyloxy-1,1,1-trifluoroethane?
2-chlorosulfonyloxy-1,1,1-trifluoroethane has a molecular weight of 198.55 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfonyloxy-1,1,1-trifluoroethane is sourced from PubChem (CID 14381796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).