2-chlorosulfinyloxy-1,1,1-trifluoroethane

C2H2ClF3O2S — CID 13418964

IUPAC2-chlorosulfinyloxy-1,1,1-trifluoroethane
SMILESO=S(Cl)OCC(F)(F)F
InChIInChI=1S/C2H2ClF3O2S/c3-9(7)8-1-2(4,5)6/h1H2
InChIKeyAIHMJGXLBQZKSF-UHFFFAOYSA-N
MW182.55 g/mol
LogP1.38
Rot. Bonds2

About 2-chlorosulfinyloxy-1,1,1-trifluoroethane

2-chlorosulfinyloxy-1,1,1-trifluoroethane (PubChem CID 13418964) has the molecular formula C2H2ClF3O2S and a molecular weight of 182.55 g/mol. Its IUPAC name is 2-chlorosulfinyloxy-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-chlorosulfinyloxy-1,1,1-trifluoroethane
PubChem CID13418964
Molecular FormulaC2H2ClF3O2S
Molecular Weight182.55 g/mol
Exact Mass181.94
IUPAC Name2-chlorosulfinyloxy-1,1,1-trifluoroethane
SMILESO=S(Cl)OCC(F)(F)F
InChIInChI=1S/C2H2ClF3O2S/c3-9(7)8-1-2(4,5)6/h1H2
InChIKeyAIHMJGXLBQZKSF-UHFFFAOYSA-N
XLogP1.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.55
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chlorosulfinyloxy-1,1,1-trifluoroethane?
The IUPAC name of 2-chlorosulfinyloxy-1,1,1-trifluoroethane (CID 13418964) is 2-chlorosulfinyloxy-1,1,1-trifluoroethane.
What is the SMILES notation for 2-chlorosulfinyloxy-1,1,1-trifluoroethane?
The canonical SMILES for 2-chlorosulfinyloxy-1,1,1-trifluoroethane is O=S(Cl)OCC(F)(F)F.
What is the InChIKey of 2-chlorosulfinyloxy-1,1,1-trifluoroethane?
The InChIKey is AIHMJGXLBQZKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClF3O2S/c3-9(7)8-1-2(4,5)6/h1H2.
What are the key properties of 2-chlorosulfinyloxy-1,1,1-trifluoroethane?
2-chlorosulfinyloxy-1,1,1-trifluoroethane has a molecular weight of 182.55 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfinyloxy-1,1,1-trifluoroethane is sourced from PubChem (CID 13418964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).