1,1-difluoro-3-(sulfamoylamino)cyclobutane

C4H8F2N2O2S — CID 131175192

IUPAC1,1-difluoro-3-(sulfamoylamino)cyclobutane
SMILESNS(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C4H8F2N2O2S/c5-4(6)1-3(2-4)8-11(7,9)10/h3,8H,1-2H2,(H2,7,9,10)
InChIKeyFXQHZJPICFSPRB-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.42
Rot. Bonds2

About 1,1-difluoro-3-(sulfamoylamino)cyclobutane

1,1-difluoro-3-(sulfamoylamino)cyclobutane (PubChem CID 131175192) has the molecular formula C4H8F2N2O2S and a molecular weight of 186.18 g/mol. Its IUPAC name is 1,1-difluoro-3-(sulfamoylamino)cyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-(sulfamoylamino)cyclobutane
PubChem CID131175192
Molecular FormulaC4H8F2N2O2S
Molecular Weight186.18 g/mol
Exact Mass186.03
IUPAC Name1,1-difluoro-3-(sulfamoylamino)cyclobutane
SMILESNS(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C4H8F2N2O2S/c5-4(6)1-3(2-4)8-11(7,9)10/h3,8H,1-2H2,(H2,7,9,10)
InChIKeyFXQHZJPICFSPRB-UHFFFAOYSA-N
XLogP-0.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
N-cyclobutyl-1,1,1-trifluoromethanesulfonamide
CID 23208885
N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
(2,2-Difluorocyclobutyl)sulfamic acid
CID 148939328
(3,3-Difluorocyclobutyl)sulfamic acid
CID 149280995
lithium N-(3,3-difluorocyclobutyl)sulfamate
CID 156663409
lithium N-(2,2-difluorocyclobutyl)sulfamate
CID 156663453
methyl N-(3,3-difluorocyclobutyl)sulfamate
CID 169607057
N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide
CID 43597810
N-(3-aminocyclobutyl)-1,1-difluoromethanesulfonamide
CID 43597836
1,1,1-Trifluoro-3-(sulfamoylamino)butane
CID 104854746
(2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 104978177

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(sulfamoylamino)cyclobutane?
The IUPAC name of 1,1-difluoro-3-(sulfamoylamino)cyclobutane (CID 131175192) is 1,1-difluoro-3-(sulfamoylamino)cyclobutane.
What is the SMILES notation for 1,1-difluoro-3-(sulfamoylamino)cyclobutane?
The canonical SMILES for 1,1-difluoro-3-(sulfamoylamino)cyclobutane is NS(=O)(=O)NC1CC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-(sulfamoylamino)cyclobutane?
The InChIKey is FXQHZJPICFSPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O2S/c5-4(6)1-3(2-4)8-11(7,9)10/h3,8H,1-2H2,(H2,7,9,10).
What are the key properties of 1,1-difluoro-3-(sulfamoylamino)cyclobutane?
1,1-difluoro-3-(sulfamoylamino)cyclobutane has a molecular weight of 186.18 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(sulfamoylamino)cyclobutane is sourced from PubChem (CID 131175192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).