1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride

C2ClF5O2S — CID 12643061

IUPAC1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C2ClF5O2S/c3-1(4,2(5,6)7)11(8,9)10
InChIKeyGWIPXKUCVLSQMA-UHFFFAOYSA-N
MW218.53 g/mol
LogP1.71
Rot. Bonds1

About 1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride

1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride (PubChem CID 12643061) has the molecular formula C2ClF5O2S and a molecular weight of 218.53 g/mol. Its IUPAC name is 1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride.

Molecular Properties

Compound Name1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride
PubChem CID12643061
Molecular FormulaC2ClF5O2S
Molecular Weight218.53 g/mol
Exact Mass217.92
IUPAC Name1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C2ClF5O2S/c3-1(4,2(5,6)7)11(8,9)10
InChIKeyGWIPXKUCVLSQMA-UHFFFAOYSA-N
XLogP1.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.53
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride?
The IUPAC name of 1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride (CID 12643061) is 1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride.
What is the SMILES notation for 1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride?
The canonical SMILES for 1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride is O=S(=O)(F)C(F)(Cl)C(F)(F)F.
What is the InChIKey of 1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride?
The InChIKey is GWIPXKUCVLSQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2ClF5O2S/c3-1(4,2(5,6)7)11(8,9)10.
What are the key properties of 1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride?
1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride has a molecular weight of 218.53 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride is sourced from PubChem (CID 12643061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).