3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride

C3H4F2O5S2 — CID 138667932

IUPAC3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride
SMILESO=S(=O)(F)CC1OC1S(=O)(=O)F
InChIInChI=1S/C3H4F2O5S2/c4-11(6,7)1-2-3(10-2)12(5,8)9/h2-3H,1H2
InChIKeyDPJHTTJLQZONRS-UHFFFAOYSA-N
MW222.19 g/mol
LogP-0.69
Rot. Bonds3

About 3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride

3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride (PubChem CID 138667932) has the molecular formula C3H4F2O5S2 and a molecular weight of 222.19 g/mol. Its IUPAC name is 3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride.

Molecular Properties

Compound Name3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride
PubChem CID138667932
Molecular FormulaC3H4F2O5S2
Molecular Weight222.19 g/mol
Exact Mass221.95
IUPAC Name3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride
SMILESO=S(=O)(F)CC1OC1S(=O)(=O)F
InChIInChI=1S/C3H4F2O5S2/c4-11(6,7)1-2-3(10-2)12(5,8)9/h2-3H,1H2
InChIKeyDPJHTTJLQZONRS-UHFFFAOYSA-N
XLogP-0.69
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride?
The IUPAC name of 3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride (CID 138667932) is 3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride.
What is the SMILES notation for 3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride?
The canonical SMILES for 3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride is O=S(=O)(F)CC1OC1S(=O)(=O)F.
What is the InChIKey of 3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride?
The InChIKey is DPJHTTJLQZONRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O5S2/c4-11(6,7)1-2-3(10-2)12(5,8)9/h2-3H,1H2.
What are the key properties of 3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride?
3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride has a molecular weight of 222.19 g/mol, XLogP of -0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluorosulfonylmethyl)oxirane-2-sulfonyl fluoride is sourced from PubChem (CID 138667932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).