2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride

C2Cl2F4O2S — CID 13231632

IUPAC2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C2Cl2F4O2S/c3-1(5,6)2(7,8)11(4,9)10
InChIKeyMMAXEXCJVVINKX-UHFFFAOYSA-N
MW234.98 g/mol
LogP1.98
Rot. Bonds2

About 2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride

2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride (PubChem CID 13231632) has the molecular formula C2Cl2F4O2S and a molecular weight of 234.98 g/mol. Its IUPAC name is 2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride
PubChem CID13231632
Molecular FormulaC2Cl2F4O2S
Molecular Weight234.98 g/mol
Exact Mass233.89
IUPAC Name2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C2Cl2F4O2S/c3-1(5,6)2(7,8)11(4,9)10
InChIKeyMMAXEXCJVVINKX-UHFFFAOYSA-N
XLogP1.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.98
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride?
The IUPAC name of 2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride (CID 13231632) is 2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride.
What is the SMILES notation for 2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride?
The canonical SMILES for 2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride is O=S(=O)(Cl)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride?
The InChIKey is MMAXEXCJVVINKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl2F4O2S/c3-1(5,6)2(7,8)11(4,9)10.
What are the key properties of 2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride?
2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride has a molecular weight of 234.98 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,2,2-tetrafluoroethanesulfonyl chloride is sourced from PubChem (CID 13231632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).