1,1,2,2-tetrafluoroethanesulfonyl chloride

C2HClF4O2S — CID 21498350

IUPAC1,1,2,2-tetrafluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)F
InChIInChI=1S/C2HClF4O2S/c3-10(8,9)2(6,7)1(4)5/h1H
InChIKeyKNVMLYXDZUGCQJ-UHFFFAOYSA-N
MW200.54 g/mol
LogP1.41
Rot. Bonds2

About 1,1,2,2-tetrafluoroethanesulfonyl chloride

1,1,2,2-tetrafluoroethanesulfonyl chloride (PubChem CID 21498350) has the molecular formula C2HClF4O2S and a molecular weight of 200.54 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoroethanesulfonyl chloride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoroethanesulfonyl chloride
PubChem CID21498350
Molecular FormulaC2HClF4O2S
Molecular Weight200.54 g/mol
Exact Mass199.93
IUPAC Name1,1,2,2-tetrafluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)F
InChIInChI=1S/C2HClF4O2S/c3-10(8,9)2(6,7)1(4)5/h1H
InChIKeyKNVMLYXDZUGCQJ-UHFFFAOYSA-N
XLogP1.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.54
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoroethanesulfonyl chloride?
The IUPAC name of 1,1,2,2-tetrafluoroethanesulfonyl chloride (CID 21498350) is 1,1,2,2-tetrafluoroethanesulfonyl chloride.
What is the SMILES notation for 1,1,2,2-tetrafluoroethanesulfonyl chloride?
The canonical SMILES for 1,1,2,2-tetrafluoroethanesulfonyl chloride is O=S(=O)(Cl)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoroethanesulfonyl chloride?
The InChIKey is KNVMLYXDZUGCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF4O2S/c3-10(8,9)2(6,7)1(4)5/h1H.
What are the key properties of 1,1,2,2-tetrafluoroethanesulfonyl chloride?
1,1,2,2-tetrafluoroethanesulfonyl chloride has a molecular weight of 200.54 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoroethanesulfonyl chloride is sourced from PubChem (CID 21498350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).