3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine

C6H10F3NO3S — CID 165499881

IUPAC3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine
SMILESO=S(=O)(CCOC1CNC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)14(11,12)2-1-13-5-3-10-4-5/h5,10H,1-4H2
InChIKeyBOYQSKHXOPEETK-UHFFFAOYSA-N
MW233.21 g/mol
LogP-0.09
Rot. Bonds4

About 3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine

3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine (PubChem CID 165499881) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine
PubChem CID165499881
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC Name3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine
SMILESO=S(=O)(CCOC1CNC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)14(11,12)2-1-13-5-3-10-4-5/h5,10H,1-4H2
InChIKeyBOYQSKHXOPEETK-UHFFFAOYSA-N
XLogP-0.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(azetidin-3-yloxy)ethylsulfonyl]pyrrolidine
CID 165492667
3-(4-chloro-3,3-difluorobutoxy)azetidine
CID 175192234
1,2-bis(trifluoromethylsulfonyl)ethane
CID 141114696
3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol
CID 106939889
3-(4-fluorobutoxy)azetidine
CID 130549464
3-(2-cyclobutyloxyethoxy)azetidine
CID 165492875
azetidin-3-yloxysulfonylmethyl 2,2,2-trifluoroacetate
CID 162368147
3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine
CID 115070494
3-(2-propylsulfonylethoxy)pyrrolidine
CID 106726895
(3R)-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 82955468
2-(trifluoromethylsulfonyl)ethyl propanoate
CID 174567450
[(3S)-pyrrolidin-3-yl] trifluoromethanesulfonate
CID 56973569

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine?
The IUPAC name of 3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine (CID 165499881) is 3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine.
What is the SMILES notation for 3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine?
The canonical SMILES for 3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine is O=S(=O)(CCOC1CNC1)C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine?
The InChIKey is BOYQSKHXOPEETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c7-6(8,9)14(11,12)2-1-13-5-3-10-4-5/h5,10H,1-4H2.
What are the key properties of 3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine?
3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine has a molecular weight of 233.21 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine is sourced from PubChem (CID 165499881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).