1-fluoroethylsulfamic acid

C2H6FNO3S — CID 57123348

IUPAC1-fluoroethylsulfamic acid
SMILESCC(F)NS(=O)(=O)O
InChIInChI=1S/C2H6FNO3S/c1-2(3)4-8(5,6)7/h2,4H,1H3,(H,5,6,7)
InChIKeyMVMVSPNLMMQPDE-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.31
Rot. Bonds2

About 1-fluoroethylsulfamic acid

1-fluoroethylsulfamic acid (PubChem CID 57123348) has the molecular formula C2H6FNO3S and a molecular weight of 143.14 g/mol. Its IUPAC name is 1-fluoroethylsulfamic acid.

Molecular Properties

Compound Name1-fluoroethylsulfamic acid
PubChem CID57123348
Molecular FormulaC2H6FNO3S
Molecular Weight143.14 g/mol
Exact Mass143.01
IUPAC Name1-fluoroethylsulfamic acid
SMILESCC(F)NS(=O)(=O)O
InChIInChI=1S/C2H6FNO3S/c1-2(3)4-8(5,6)7/h2,4H,1H3,(H,5,6,7)
InChIKeyMVMVSPNLMMQPDE-UHFFFAOYSA-N
XLogP-0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.31
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

Ethylsulfamic acid
CID 244259
Propylsulfamic acid
CID 14979915
2,2,2-Trifluoroethylsulfamic acid
CID 17804126
3,3,3-Trifluoropropylsulfamic acid
CID 17804131
1-Fluoropropylsulfamic acid
CID 20542120
1-Fluorobutylsulfamic acid
CID 20542132
2-Fluoroethylsulfamic acid
CID 20542143
2,2-Difluoroethylsulfamic acid
CID 86632792
1-Fluoro-2-(sulfinoamino)ethane
CID 90749594
1-Fluoro-3-(sulfinoamino)propane
CID 91582885
(Sulfinoamino)ethane
CID 18359531
Ethylsulfamic acid;hydrochloride
CID 88745165

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethylsulfamic acid?
The IUPAC name of 1-fluoroethylsulfamic acid (CID 57123348) is 1-fluoroethylsulfamic acid.
What is the SMILES notation for 1-fluoroethylsulfamic acid?
The canonical SMILES for 1-fluoroethylsulfamic acid is CC(F)NS(=O)(=O)O.
What is the InChIKey of 1-fluoroethylsulfamic acid?
The InChIKey is MVMVSPNLMMQPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6FNO3S/c1-2(3)4-8(5,6)7/h2,4H,1H3,(H,5,6,7).
What are the key properties of 1-fluoroethylsulfamic acid?
1-fluoroethylsulfamic acid has a molecular weight of 143.14 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethylsulfamic acid is sourced from PubChem (CID 57123348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).