[(2S)-oxiran-2-yl]methanesulfonyl fluoride

C3H5FO3S — CID 155970400

IUPAC[(2S)-oxiran-2-yl]methanesulfonyl fluoride
SMILESO=S(=O)(F)C[C@@H]1CO1
InChIInChI=1S/C3H5FO3S/c4-8(5,6)2-3-1-7-3/h3H,1-2H2/t3-/m0/s1
InChIKeyDGSYVFWOYXSUBZ-VKHMYHEASA-N
MW140.13 g/mol
LogP-0.32
Rot. Bonds2

About [(2S)-oxiran-2-yl]methanesulfonyl fluoride

[(2S)-oxiran-2-yl]methanesulfonyl fluoride (PubChem CID 155970400) has the molecular formula C3H5FO3S and a molecular weight of 140.13 g/mol. Its IUPAC name is [(2S)-oxiran-2-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[(2S)-oxiran-2-yl]methanesulfonyl fluoride
PubChem CID155970400
Molecular FormulaC3H5FO3S
Molecular Weight140.13 g/mol
Exact Mass139.99
IUPAC Name[(2S)-oxiran-2-yl]methanesulfonyl fluoride
SMILESO=S(=O)(F)C[C@@H]1CO1
InChIInChI=1S/C3H5FO3S/c4-8(5,6)2-3-1-7-3/h3H,1-2H2/t3-/m0/s1
InChIKeyDGSYVFWOYXSUBZ-VKHMYHEASA-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 [(2S)-oxiran-2-yl]methanesulfonyl fluoride?
The IUPAC name of [(2S)-oxiran-2-yl]methanesulfonyl fluoride (CID 155970400) is [(2S)-oxiran-2-yl]methanesulfonyl fluoride.
What is the SMILES notation for [(2S)-oxiran-2-yl]methanesulfonyl fluoride?
The canonical SMILES for [(2S)-oxiran-2-yl]methanesulfonyl fluoride is O=S(=O)(F)C[C@@H]1CO1.
What is the InChIKey of [(2S)-oxiran-2-yl]methanesulfonyl fluoride?
The InChIKey is DGSYVFWOYXSUBZ-VKHMYHEASA-N. The full InChI is InChI=1S/C3H5FO3S/c4-8(5,6)2-3-1-7-3/h3H,1-2H2/t3-/m0/s1.
What are the key properties of [(2S)-oxiran-2-yl]methanesulfonyl fluoride?
[(2S)-oxiran-2-yl]methanesulfonyl 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 [(2S)-oxiran-2-yl]methanesulfonyl fluoride is sourced from PubChem (CID 155970400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).