2-(oxiran-2-yl)ethanesulfonyl fluoride

C4H7FO3S — CID 24936346

IUPAC2-(oxiran-2-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCC1CO1
InChIInChI=1S/C4H7FO3S/c5-9(6,7)2-1-4-3-8-4/h4H,1-3H2
InChIKeyFGYRHYUVGSZLOI-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.07
Rot. Bonds3

About 2-(oxiran-2-yl)ethanesulfonyl fluoride

2-(oxiran-2-yl)ethanesulfonyl fluoride (PubChem CID 24936346) has the molecular formula C4H7FO3S and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-(oxiran-2-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(oxiran-2-yl)ethanesulfonyl fluoride
PubChem CID24936346
Molecular FormulaC4H7FO3S
Molecular Weight154.16 g/mol
Exact Mass154.01
IUPAC Name2-(oxiran-2-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCC1CO1
InChIInChI=1S/C4H7FO3S/c5-9(6,7)2-1-4-3-8-4/h4H,1-3H2
InChIKeyFGYRHYUVGSZLOI-UHFFFAOYSA-N
XLogP0.07
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(Oxiran-2-yl)butane-1-sulfonyl fluoride
CID 58637697
3-(Fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride
CID 138667932
Oxiran-2-ylmethanesulfonyl fluoride
CID 174242619
[(2S)-oxiran-2-yl]methanesulfonyl fluoride
CID 155970400
2-Methoxypentane-1-sulfonyl fluoride
CID 164664043
Ethyl 2-(oxiran-2-yl)ethanesulfonate
CID 87574053
2-(Oxiran-2-yl)ethanesulfinate
CID 174986173
Sodium 3-ethyloxirane-2-sulfonate
CID 176280888
2-(Oxiran-2-yl)ethanesulfonate
CID 21616483
2-(Oxiran-2-yl)ethane-1-sulfonyl chloride
CID 132398893
(S)-oxiran-2-ylmethylmethanesulfonate
CID 154493031

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-(oxiran-2-yl)ethanesulfonyl fluoride (CID 24936346) is 2-(oxiran-2-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(oxiran-2-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(oxiran-2-yl)ethanesulfonyl fluoride is O=S(=O)(F)CCC1CO1.
What is the InChIKey of 2-(oxiran-2-yl)ethanesulfonyl fluoride?
The InChIKey is FGYRHYUVGSZLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO3S/c5-9(6,7)2-1-4-3-8-4/h4H,1-3H2.
What are the key properties of 2-(oxiran-2-yl)ethanesulfonyl fluoride?
2-(oxiran-2-yl)ethanesulfonyl fluoride has a molecular weight of 154.16 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 24936346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).