(1-fluoro-2-methylpropyl)sulfamic acid

C4H10FNO3S — CID 57000789

IUPAC(1-fluoro-2-methylpropyl)sulfamic acid
SMILESCC(C)C(F)NS(=O)(=O)O
InChIInChI=1S/C4H10FNO3S/c1-3(2)4(5)6-10(7,8)9/h3-4,6H,1-2H3,(H,7,8,9)
InChIKeyAZLMCIHTQCTVLD-UHFFFAOYSA-N
MW171.19 g/mol
LogP0.33
Rot. Bonds3

About (1-fluoro-2-methylpropyl)sulfamic acid

(1-fluoro-2-methylpropyl)sulfamic acid (PubChem CID 57000789) has the molecular formula C4H10FNO3S and a molecular weight of 171.19 g/mol. Its IUPAC name is (1-fluoro-2-methylpropyl)sulfamic acid.

Molecular Properties

Compound Name(1-fluoro-2-methylpropyl)sulfamic acid
PubChem CID57000789
Molecular FormulaC4H10FNO3S
Molecular Weight171.19 g/mol
Exact Mass171.04
IUPAC Name(1-fluoro-2-methylpropyl)sulfamic acid
SMILESCC(C)C(F)NS(=O)(=O)O
InChIInChI=1S/C4H10FNO3S/c1-3(2)4(5)6-10(7,8)9/h3-4,6H,1-2H3,(H,7,8,9)
InChIKeyAZLMCIHTQCTVLD-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Fluoropropylsulfamic acid
CID 20542120
1-Fluorobutylsulfamic acid
CID 20542132
N-(2-methylpropyl)sulfamoyl fluoride
CID 54068001
4-Fluorobutylsulfamic acid
CID 163287147
2-Methylpropylsulfamic acid
CID 15847245
2-Methylpropan-1-amine;sulfurous acid
CID 20488231
2-Methylbutylsulfamic acid
CID 53672903
3-Methylbutylsulfamic acid
CID 54473409
2-Methyl-1-[tritio(tritiooxysulfinyl)amino]propane
CID 58826086
2-Methyl-1-[tritio(tritiosulfonyl)amino]propane
CID 59303268
N-(2-methylpropyl)sulfamate
CID 59847903
2-Methylpropylsulfamic acid;hydrofluoride
CID 88745349

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-2-methylpropyl)sulfamic acid?
The IUPAC name of (1-fluoro-2-methylpropyl)sulfamic acid (CID 57000789) is (1-fluoro-2-methylpropyl)sulfamic acid.
What is the SMILES notation for (1-fluoro-2-methylpropyl)sulfamic acid?
The canonical SMILES for (1-fluoro-2-methylpropyl)sulfamic acid is CC(C)C(F)NS(=O)(=O)O.
What is the InChIKey of (1-fluoro-2-methylpropyl)sulfamic acid?
The InChIKey is AZLMCIHTQCTVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO3S/c1-3(2)4(5)6-10(7,8)9/h3-4,6H,1-2H3,(H,7,8,9).
What are the key properties of (1-fluoro-2-methylpropyl)sulfamic acid?
(1-fluoro-2-methylpropyl)sulfamic acid has a molecular weight of 171.19 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2-methylpropyl)sulfamic acid is sourced from PubChem (CID 57000789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).