1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide

C6H11F2NO2S — CID 130884625

IUPAC1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)C(F)F)CCC1
InChIInChI=1S/C6H11F2NO2S/c1-6(3-2-4-6)9-12(10,11)5(7)8/h5,9H,2-4H2,1H3
InChIKeyVAKUWZKMLRWMCQ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.07
Rot. Bonds3

About 1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide

1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide (PubChem CID 130884625) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide
PubChem CID130884625
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)C(F)F)CCC1
InChIInChI=1S/C6H11F2NO2S/c1-6(3-2-4-6)9-12(10,11)5(7)8/h5,9H,2-4H2,1H3
InChIKeyVAKUWZKMLRWMCQ-UHFFFAOYSA-N
XLogP1.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide (CID 130884625) is 1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide is CC1(NS(=O)(=O)C(F)F)CCC1.
What is the InChIKey of 1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide?
The InChIKey is VAKUWZKMLRWMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-6(3-2-4-6)9-12(10,11)5(7)8/h5,9H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide?
1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide has a molecular weight of 199.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide is sourced from PubChem (CID 130884625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).