2-fluoroethylsulfamic acid

C2H6FNO3S — CID 20542143

IUPAC2-fluoroethylsulfamic acid
SMILESO=S(=O)(O)NCCF
InChIInChI=1S/C2H6FNO3S/c3-1-2-4-8(5,6)7/h4H,1-2H2,(H,5,6,7)
InChIKeyXPPVOKKJFSNBAB-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.65
Rot. Bonds3

About 2-fluoroethylsulfamic acid

2-fluoroethylsulfamic acid (PubChem CID 20542143) has the molecular formula C2H6FNO3S and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-fluoroethylsulfamic acid.

Molecular Properties

Compound Name2-fluoroethylsulfamic acid
PubChem CID20542143
Molecular FormulaC2H6FNO3S
Molecular Weight143.14 g/mol
Exact Mass143.01
IUPAC Name2-fluoroethylsulfamic acid
SMILESO=S(=O)(O)NCCF
InChIInChI=1S/C2H6FNO3S/c3-1-2-4-8(5,6)7/h4H,1-2H2,(H,5,6,7)
InChIKeyXPPVOKKJFSNBAB-UHFFFAOYSA-N
XLogP-0.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethylsulfamic acid?
The IUPAC name of 2-fluoroethylsulfamic acid (CID 20542143) is 2-fluoroethylsulfamic acid.
What is the SMILES notation for 2-fluoroethylsulfamic acid?
The canonical SMILES for 2-fluoroethylsulfamic acid is O=S(=O)(O)NCCF.
What is the InChIKey of 2-fluoroethylsulfamic acid?
The InChIKey is XPPVOKKJFSNBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6FNO3S/c3-1-2-4-8(5,6)7/h4H,1-2H2,(H,5,6,7).
What are the key properties of 2-fluoroethylsulfamic acid?
2-fluoroethylsulfamic acid has a molecular weight of 143.14 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethylsulfamic acid is sourced from PubChem (CID 20542143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).