1,1,2,2-tetrafluoroethanesulfonyl fluoride

C2HF5O2S — CID 19695005

IUPAC1,1,2,2-tetrafluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)F
InChIInChI=1S/C2HF5O2S/c3-1(4)2(5,6)10(7,8)9/h1H
InChIKeyYBHQQLDLJKQACD-UHFFFAOYSA-N
MW184.09 g/mol
LogP1.14
Rot. Bonds2

About 1,1,2,2-tetrafluoroethanesulfonyl fluoride

1,1,2,2-tetrafluoroethanesulfonyl fluoride (PubChem CID 19695005) has the molecular formula C2HF5O2S and a molecular weight of 184.09 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoroethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoroethanesulfonyl fluoride
PubChem CID19695005
Molecular FormulaC2HF5O2S
Molecular Weight184.09 g/mol
Exact Mass183.96
IUPAC Name1,1,2,2-tetrafluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)F
InChIInChI=1S/C2HF5O2S/c3-1(4)2(5,6)10(7,8)9/h1H
InChIKeyYBHQQLDLJKQACD-UHFFFAOYSA-N
XLogP1.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 51.14
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 fluoride?
The IUPAC name of 1,1,2,2-tetrafluoroethanesulfonyl fluoride (CID 19695005) is 1,1,2,2-tetrafluoroethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoroethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The InChIKey is YBHQQLDLJKQACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5O2S/c3-1(4)2(5,6)10(7,8)9/h1H.
What are the key properties of 1,1,2,2-tetrafluoroethanesulfonyl fluoride?
1,1,2,2-tetrafluoroethanesulfonyl fluoride has a molecular weight of 184.09 g/mol, XLogP of 1.14, 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 fluoride is sourced from PubChem (CID 19695005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).