oxiran-2-ylmethanesulfonyl fluoride

C3H5FO3S — CID 174242619

IUPACoxiran-2-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CO1
InChIInChI=1S/C3H5FO3S/c4-8(5,6)2-3-1-7-3/h3H,1-2H2
InChIKeyDGSYVFWOYXSUBZ-UHFFFAOYSA-N
MW140.13 g/mol
LogP-0.32
Rot. Bonds2

About oxiran-2-ylmethanesulfonyl fluoride

oxiran-2-ylmethanesulfonyl fluoride (PubChem CID 174242619) has the molecular formula C3H5FO3S and a molecular weight of 140.13 g/mol. Its IUPAC name is oxiran-2-ylmethanesulfonyl fluoride.

Molecular Properties

Compound Nameoxiran-2-ylmethanesulfonyl fluoride
PubChem CID174242619
Molecular FormulaC3H5FO3S
Molecular Weight140.13 g/mol
Exact Mass139.99
IUPAC Nameoxiran-2-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CO1
InChIInChI=1S/C3H5FO3S/c4-8(5,6)2-3-1-7-3/h3H,1-2H2
InChIKeyDGSYVFWOYXSUBZ-UHFFFAOYSA-N
XLogP-0.32
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 5-0.32
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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Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethanesulfonyl fluoride?
The IUPAC name of oxiran-2-ylmethanesulfonyl fluoride (CID 174242619) is oxiran-2-ylmethanesulfonyl fluoride.
What is the SMILES notation for oxiran-2-ylmethanesulfonyl fluoride?
The canonical SMILES for oxiran-2-ylmethanesulfonyl fluoride is O=S(=O)(F)CC1CO1.
What is the InChIKey of oxiran-2-ylmethanesulfonyl fluoride?
The InChIKey is DGSYVFWOYXSUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO3S/c4-8(5,6)2-3-1-7-3/h3H,1-2H2.
What are the key properties of oxiran-2-ylmethanesulfonyl fluoride?
oxiran-2-ylmethanesulfonyl fluoride has a molecular weight of 140.13 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethanesulfonyl fluoride is sourced from PubChem (CID 174242619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).