3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine

C6H10F3NO2S — CID 123629088

IUPAC3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine
SMILESCC1(C)CN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO2S/c1-5(2)3-10(4-5)13(11,12)6(7,8)9/h3-4H2,1-2H3
InChIKeyAWZHZDNPOCLIPC-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.18
Rot. Bonds1

About 3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine

3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine (PubChem CID 123629088) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine.

Molecular Properties

Compound Name3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine
PubChem CID123629088
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine
SMILESCC1(C)CN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO2S/c1-5(2)3-10(4-5)13(11,12)6(7,8)9/h3-4H2,1-2H3
InChIKeyAWZHZDNPOCLIPC-UHFFFAOYSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol
CID 81103098
2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid
CID 102657711
1-(difluoromethylsulfonyl)-3,3-dimethylazetidine
CID 131089160
(3R,4R)-3,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 86276442
1-(chloromethylsulfonyl)-3,3-dimethylazetidine
CID 130649715
1-(trifluoromethylsulfonyl)piperazine
CID 18690833
1-ethenylsulfonyl-3,3-dimethylazetidine
CID 130652627
4-deuterio-1-(trifluoromethylsulfonyl)piperidine
CID 175981721
4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane
CID 125492184
2-ethenyl-2-methyl-1-(trifluoromethylsulfonyl)azetidine
CID 10988035
3,3-dimethyl-4-(trifluoromethylsulfonyl)piperazine-2,6-dione
CID 66075966
N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 131692481

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine?
The IUPAC name of 3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine (CID 123629088) is 3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine.
What is the SMILES notation for 3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine?
The canonical SMILES for 3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine is CC1(C)CN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine?
The InChIKey is AWZHZDNPOCLIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-5(2)3-10(4-5)13(11,12)6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine?
3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine has a molecular weight of 217.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine is sourced from PubChem (CID 123629088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).