3-(trifluoromethylsulfonylmethyl)azetidine

C5H8F3NO2S — CID 81197783

IUPAC3-(trifluoromethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CC1CNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)12(10,11)3-4-1-9-2-4/h4,9H,1-3H2
InChIKeyDSHAZRYTRQAJCZ-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.14
Rot. Bonds2

About 3-(trifluoromethylsulfonylmethyl)azetidine

3-(trifluoromethylsulfonylmethyl)azetidine (PubChem CID 81197783) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name3-(trifluoromethylsulfonylmethyl)azetidine
PubChem CID81197783
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name3-(trifluoromethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CC1CNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)12(10,11)3-4-1-9-2-4/h4,9H,1-3H2
InChIKeyDSHAZRYTRQAJCZ-UHFFFAOYSA-N
XLogP0.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonylmethyl)azetidine?
The IUPAC name of 3-(trifluoromethylsulfonylmethyl)azetidine (CID 81197783) is 3-(trifluoromethylsulfonylmethyl)azetidine.
What is the SMILES notation for 3-(trifluoromethylsulfonylmethyl)azetidine?
The canonical SMILES for 3-(trifluoromethylsulfonylmethyl)azetidine is O=S(=O)(CC1CNC1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonylmethyl)azetidine?
The InChIKey is DSHAZRYTRQAJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c6-5(7,8)12(10,11)3-4-1-9-2-4/h4,9H,1-3H2.
What are the key properties of 3-(trifluoromethylsulfonylmethyl)azetidine?
3-(trifluoromethylsulfonylmethyl)azetidine has a molecular weight of 203.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonylmethyl)azetidine is sourced from PubChem (CID 81197783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).