(2-fluorocyclopropyl)sulfamic acid

C3H6FNO3S — CID 22435343

IUPAC(2-fluorocyclopropyl)sulfamic acid
SMILESO=S(=O)(O)NC1CC1F
InChIInChI=1S/C3H6FNO3S/c4-2-1-3(2)5-9(6,7)8/h2-3,5H,1H2,(H,6,7,8)
InChIKeyNWAMHDVETVKOCT-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.51
Rot. Bonds2

About (2-fluorocyclopropyl)sulfamic acid

(2-fluorocyclopropyl)sulfamic acid (PubChem CID 22435343) has the molecular formula C3H6FNO3S and a molecular weight of 155.15 g/mol. Its IUPAC name is (2-fluorocyclopropyl)sulfamic acid.

Molecular Properties

Compound Name(2-fluorocyclopropyl)sulfamic acid
PubChem CID22435343
Molecular FormulaC3H6FNO3S
Molecular Weight155.15 g/mol
Exact Mass155.01
IUPAC Name(2-fluorocyclopropyl)sulfamic acid
SMILESO=S(=O)(O)NC1CC1F
InChIInChI=1S/C3H6FNO3S/c4-2-1-3(2)5-9(6,7)8/h2-3,5H,1H2,(H,6,7,8)
InChIKeyNWAMHDVETVKOCT-UHFFFAOYSA-N
XLogP-0.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.51
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-fluorocyclopropyl)sulfamic acid?
The IUPAC name of (2-fluorocyclopropyl)sulfamic acid (CID 22435343) is (2-fluorocyclopropyl)sulfamic acid.
What is the SMILES notation for (2-fluorocyclopropyl)sulfamic acid?
The canonical SMILES for (2-fluorocyclopropyl)sulfamic acid is O=S(=O)(O)NC1CC1F.
What is the InChIKey of (2-fluorocyclopropyl)sulfamic acid?
The InChIKey is NWAMHDVETVKOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO3S/c4-2-1-3(2)5-9(6,7)8/h2-3,5H,1H2,(H,6,7,8).
What are the key properties of (2-fluorocyclopropyl)sulfamic acid?
(2-fluorocyclopropyl)sulfamic acid has a molecular weight of 155.15 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclopropyl)sulfamic acid is sourced from PubChem (CID 22435343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).