3,3-difluorocyclobutane-1-sulfonamide

C4H7F2NO2S — CID 126756816

IUPAC3,3-difluorocyclobutane-1-sulfonamide
SMILESNS(=O)(=O)C1CC(F)(F)C1
InChIInChI=1S/C4H7F2NO2S/c5-4(6)1-3(2-4)10(7,8)9/h3H,1-2H2,(H2,7,8,9)
InChIKeyGVVRHFKFEJGEDB-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.07
Rot. Bonds1

About 3,3-difluorocyclobutane-1-sulfonamide

3,3-difluorocyclobutane-1-sulfonamide (PubChem CID 126756816) has the molecular formula C4H7F2NO2S and a molecular weight of 171.17 g/mol. Its IUPAC name is 3,3-difluorocyclobutane-1-sulfonamide.

Molecular Properties

Compound Name3,3-difluorocyclobutane-1-sulfonamide
PubChem CID126756816
Molecular FormulaC4H7F2NO2S
Molecular Weight171.17 g/mol
Exact Mass171.02
IUPAC Name3,3-difluorocyclobutane-1-sulfonamide
SMILESNS(=O)(=O)C1CC(F)(F)C1
InChIInChI=1S/C4H7F2NO2S/c5-4(6)1-3(2-4)10(7,8)9/h3H,1-2H2,(H2,7,8,9)
InChIKeyGVVRHFKFEJGEDB-UHFFFAOYSA-N
XLogP0.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluorocyclobutane-1-sulfonamide?
The IUPAC name of 3,3-difluorocyclobutane-1-sulfonamide (CID 126756816) is 3,3-difluorocyclobutane-1-sulfonamide.
What is the SMILES notation for 3,3-difluorocyclobutane-1-sulfonamide?
The canonical SMILES for 3,3-difluorocyclobutane-1-sulfonamide is NS(=O)(=O)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluorocyclobutane-1-sulfonamide?
The InChIKey is GVVRHFKFEJGEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2S/c5-4(6)1-3(2-4)10(7,8)9/h3H,1-2H2,(H2,7,8,9).
What are the key properties of 3,3-difluorocyclobutane-1-sulfonamide?
3,3-difluorocyclobutane-1-sulfonamide has a molecular weight of 171.17 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorocyclobutane-1-sulfonamide is sourced from PubChem (CID 126756816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).