methylsulfonylformyl fluoride

C2H3FO3S — CID 175790736

IUPACmethylsulfonylformyl fluoride
SMILESCS(=O)(=O)C(=O)F
InChIInChI=1S/C2H3FO3S/c1-7(5,6)2(3)4/h1H3
InChIKeyCTWRNUQYEWKMCM-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.12
Rot. Bonds

About methylsulfonylformyl fluoride

methylsulfonylformyl fluoride (PubChem CID 175790736) has the molecular formula C2H3FO3S and a molecular weight of 126.11 g/mol. Its IUPAC name is methylsulfonylformyl fluoride.

Molecular Properties

Compound Namemethylsulfonylformyl fluoride
PubChem CID175790736
Molecular FormulaC2H3FO3S
Molecular Weight126.11 g/mol
Exact Mass125.98
IUPAC Namemethylsulfonylformyl fluoride
SMILESCS(=O)(=O)C(=O)F
InChIInChI=1S/C2H3FO3S/c1-7(5,6)2(3)4/h1H3
InChIKeyCTWRNUQYEWKMCM-UHFFFAOYSA-N
XLogP0.12
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfonylethanone;phosphane
CID 175070717
trifluoro(methylsulfonyl)methane
CID 11215049
methane;methylsulfonylmethane;propan-2-one
CID 169426360
methanesulfonamide;propan-2-one
CID 158339378
butane-2,3-dione;methylsulfonylsulfonylmethane
CID 158437729
lithium;hydride;methanesulfonyl fluoride
CID 175576597
ethane;methanesulfonic acid
CID 87194848
CID 87129852
CID 87129852
hydron;methanesulfonic acid
CID 19767432
sulfuric acid;tetramethyl-λ4-sulfane
CID 87168995
methanesulfonic acid;hydrate
CID 87278985
tris(carbonofluoridic acid);fluoromethane
CID 175227828

Frequently Asked Questions

What is the IUPAC name of methylsulfonylformyl fluoride?
The IUPAC name of methylsulfonylformyl fluoride (CID 175790736) is methylsulfonylformyl fluoride.
What is the SMILES notation for methylsulfonylformyl fluoride?
The canonical SMILES for methylsulfonylformyl fluoride is CS(=O)(=O)C(=O)F.
What is the InChIKey of methylsulfonylformyl fluoride?
The InChIKey is CTWRNUQYEWKMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3FO3S/c1-7(5,6)2(3)4/h1H3.
What are the key properties of methylsulfonylformyl fluoride?
methylsulfonylformyl fluoride has a molecular weight of 126.11 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylformyl fluoride is sourced from PubChem (CID 175790736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).