carbonofluoridoylsulfamic acid

CH2FNO4S — CID 176893814

IUPACcarbonofluoridoylsulfamic acid
SMILESO=C(F)NS(=O)(=O)O
InChIInChI=1S/CH2FNO4S/c2-1(4)3-8(5,6)7/h(H,3,4)(H,5,6,7)
InChIKeyYBZRUITUKUJKOH-UHFFFAOYSA-N
MW143.09 g/mol
LogP-0.53
Rot. Bonds1

About carbonofluoridoylsulfamic acid

carbonofluoridoylsulfamic acid (PubChem CID 176893814) has the molecular formula CH2FNO4S and a molecular weight of 143.09 g/mol. Its IUPAC name is carbonofluoridoylsulfamic acid.

Molecular Properties

Compound Namecarbonofluoridoylsulfamic acid
PubChem CID176893814
Molecular FormulaCH2FNO4S
Molecular Weight143.09 g/mol
Exact Mass142.97
IUPAC Namecarbonofluoridoylsulfamic acid
SMILESO=C(F)NS(=O)(=O)O
InChIInChI=1S/CH2FNO4S/c2-1(4)3-8(5,6)7/h(H,3,4)(H,5,6,7)
InChIKeyYBZRUITUKUJKOH-UHFFFAOYSA-N
XLogP-0.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.09
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,2,2-trifluoroethenylsulfamic acid
CID 147457738
sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid
CID 173392621
(2-sulfanylacetyl)sulfamic acid
CID 164896299
N-fluorocarbamoyl fluoride
CID 86244682
2,3,4-trioxo-4-(sulfoamino)butanoic acid
CID 154703002
sodium;methanesulfonic acid;iodide
CID 87541742
fluorosulfonylsulfamic acid
CID 140798090
methyl hydrogen carbonate;sulfuric acid
CID 172863213
(2-amino-3-oxobutanoyl)sulfamic acid
CID 88601839
methane;sulfuric acid;zirconium
CID 174991893
cerium;sulfuric acid;zirconium
CID 173164366
sulfuric acid;titanium;zirconium
CID 174852888

Frequently Asked Questions

What is the IUPAC name of carbonofluoridoylsulfamic acid?
The IUPAC name of carbonofluoridoylsulfamic acid (CID 176893814) is carbonofluoridoylsulfamic acid.
What is the SMILES notation for carbonofluoridoylsulfamic acid?
The canonical SMILES for carbonofluoridoylsulfamic acid is O=C(F)NS(=O)(=O)O.
What is the InChIKey of carbonofluoridoylsulfamic acid?
The InChIKey is YBZRUITUKUJKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2FNO4S/c2-1(4)3-8(5,6)7/h(H,3,4)(H,5,6,7).
What are the key properties of carbonofluoridoylsulfamic acid?
carbonofluoridoylsulfamic acid has a molecular weight of 143.09 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonofluoridoylsulfamic acid is sourced from PubChem (CID 176893814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).