1-(difluoromethylsulfonyl)-3,3-dimethylazetidine

C6H11F2NO2S — CID 131089160

IUPAC1-(difluoromethylsulfonyl)-3,3-dimethylazetidine
SMILESCC1(C)CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H11F2NO2S/c1-6(2)3-9(4-6)12(10,11)5(7)8/h5H,3-4H2,1-2H3
InChIKeySLZXIZNQKQSLSJ-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.88
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-3,3-dimethylazetidine

1-(difluoromethylsulfonyl)-3,3-dimethylazetidine (PubChem CID 131089160) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3,3-dimethylazetidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3,3-dimethylazetidine
PubChem CID131089160
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name1-(difluoromethylsulfonyl)-3,3-dimethylazetidine
SMILESCC1(C)CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H11F2NO2S/c1-6(2)3-9(4-6)12(10,11)5(7)8/h5H,3-4H2,1-2H3
InChIKeySLZXIZNQKQSLSJ-UHFFFAOYSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethylsulfonyl)-N,4-dimethylpiperidin-4-amine
CID 115304771
1-(difluoromethylsulfonyl)pyrrolidine
CID 58435998
3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine
CID 123629088
1-(difluoromethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136084
1-(difluoromethylsulfonyl)azepane
CID 58435955
1-ethenylsulfonyl-3,3-dimethylazetidine
CID 130652627
1-(chloromethylsulfonyl)-3,3-dimethylazetidine
CID 130649715
1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162662
3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane
CID 58435995
(3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane
CID 176666025
1-(difluoromethylsulfonyl)-3-methylpiperazine
CID 65450334
(3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine
CID 176666128

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3,3-dimethylazetidine?
The IUPAC name of 1-(difluoromethylsulfonyl)-3,3-dimethylazetidine (CID 131089160) is 1-(difluoromethylsulfonyl)-3,3-dimethylazetidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3,3-dimethylazetidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3,3-dimethylazetidine is CC1(C)CN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3,3-dimethylazetidine?
The InChIKey is SLZXIZNQKQSLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-6(2)3-9(4-6)12(10,11)5(7)8/h5H,3-4H2,1-2H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3,3-dimethylazetidine?
1-(difluoromethylsulfonyl)-3,3-dimethylazetidine has a molecular weight of 199.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3,3-dimethylazetidine is sourced from PubChem (CID 131089160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).