2-methylprop-2-enoic acid;sulfamoyl fluoride

C4H8FNO4S — CID 175567061

IUPAC2-methylprop-2-enoic acid;sulfamoyl fluoride
SMILESC=C(C)C(=O)O.NS(=O)(=O)F
InChIInChI=1S/C4H6O2.FH2NO2S/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H,5,6);(H2,2,3,4)
InChIKeyGKLMWYRCUYAEJD-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.19
Rot. Bonds1

About 2-methylprop-2-enoic acid;sulfamoyl fluoride

2-methylprop-2-enoic acid;sulfamoyl fluoride (PubChem CID 175567061) has the molecular formula C4H8FNO4S and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;sulfamoyl fluoride.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;sulfamoyl fluoride
PubChem CID175567061
Molecular FormulaC4H8FNO4S
Molecular Weight185.18 g/mol
Exact Mass185.02
IUPAC Name2-methylprop-2-enoic acid;sulfamoyl fluoride
SMILESC=C(C)C(=O)O.NS(=O)(=O)F
InChIInChI=1S/C4H6O2.FH2NO2S/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H,5,6);(H2,2,3,4)
InChIKeyGKLMWYRCUYAEJD-UHFFFAOYSA-N
XLogP-0.19
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dilithium;hydride;2-methylprop-2-enoic acid
CID 174560536
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
strontium;hydride;2-methylprop-2-enoic acid
CID 173027566
acetic acid;cadmium;2-methylprop-2-enoic acid
CID 88716408
chromium;bis(2-methylprop-2-enoic acid);hydrate
CID 165107719

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;sulfamoyl fluoride?
The IUPAC name of 2-methylprop-2-enoic acid;sulfamoyl fluoride (CID 175567061) is 2-methylprop-2-enoic acid;sulfamoyl fluoride.
What is the SMILES notation for 2-methylprop-2-enoic acid;sulfamoyl fluoride?
The canonical SMILES for 2-methylprop-2-enoic acid;sulfamoyl fluoride is C=C(C)C(=O)O.NS(=O)(=O)F.
What is the InChIKey of 2-methylprop-2-enoic acid;sulfamoyl fluoride?
The InChIKey is GKLMWYRCUYAEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.FH2NO2S/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H,5,6);(H2,2,3,4).
What are the key properties of 2-methylprop-2-enoic acid;sulfamoyl fluoride?
2-methylprop-2-enoic acid;sulfamoyl fluoride has a molecular weight of 185.18 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;sulfamoyl fluoride is sourced from PubChem (CID 175567061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).