2-methylprop-2-enoic acid;sulfamoyl fluoride

C₄H₈FNO₄S — CID 175567061

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 Name: 2-methylprop-2-enoic acid;sulfamoyl fluoride
• PubChem CID: 175567061
• Molecular Formula: C₄H₈FNO₄S
• Molecular Weight: 185.18 g/mol
• Exact Mass: 185.02
• IUPAC Name: 2-methylprop-2-enoic acid;sulfamoyl fluoride
• SMILES: C=C(C)C(=O)O.NS(=O)(=O)F
• InChI: InChI=1S/C4H6O2.FH2NO2S/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H,5,6);(H2,2,3,4)
• InChIKey: GKLMWYRCUYAEJD-UHFFFAOYSA-N
• XLogP: -0.19
• TPSA: 97.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	185.18
LogP ≤ 5	-0.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 175567061 — identifiers, structure, computed properties (public domain)

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