(2,2-difluorocyclopentyl)sulfamic acid

C5H9F2NO3S — CID 156663485

IUPAC(2,2-difluorocyclopentyl)sulfamic acid
SMILESO=S(=O)(O)NC1CCCC1(F)F
InChIInChI=1S/C5H9F2NO3S/c6-5(7)3-1-2-4(5)8-12(9,10)11/h4,8H,1-3H2,(H,9,10,11)
InChIKeyVLYXRQGIBGDFDL-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.57
Rot. Bonds2

About (2,2-difluorocyclopentyl)sulfamic acid

(2,2-difluorocyclopentyl)sulfamic acid (PubChem CID 156663485) has the molecular formula C5H9F2NO3S and a molecular weight of 201.19 g/mol. Its IUPAC name is (2,2-difluorocyclopentyl)sulfamic acid.

Molecular Properties

Compound Name(2,2-difluorocyclopentyl)sulfamic acid
PubChem CID156663485
Molecular FormulaC5H9F2NO3S
Molecular Weight201.19 g/mol
Exact Mass201.03
IUPAC Name(2,2-difluorocyclopentyl)sulfamic acid
SMILESO=S(=O)(O)NC1CCCC1(F)F
InChIInChI=1S/C5H9F2NO3S/c6-5(7)3-1-2-4(5)8-12(9,10)11/h4,8H,1-3H2,(H,9,10,11)
InChIKeyVLYXRQGIBGDFDL-UHFFFAOYSA-N
XLogP0.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.57
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 (2,2-difluorocyclopentyl)sulfamic acid?
The IUPAC name of (2,2-difluorocyclopentyl)sulfamic acid (CID 156663485) is (2,2-difluorocyclopentyl)sulfamic acid.
What is the SMILES notation for (2,2-difluorocyclopentyl)sulfamic acid?
The canonical SMILES for (2,2-difluorocyclopentyl)sulfamic acid is O=S(=O)(O)NC1CCCC1(F)F.
What is the InChIKey of (2,2-difluorocyclopentyl)sulfamic acid?
The InChIKey is VLYXRQGIBGDFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO3S/c6-5(7)3-1-2-4(5)8-12(9,10)11/h4,8H,1-3H2,(H,9,10,11).
What are the key properties of (2,2-difluorocyclopentyl)sulfamic acid?
(2,2-difluorocyclopentyl)sulfamic acid has a molecular weight of 201.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopentyl)sulfamic acid is sourced from PubChem (CID 156663485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).