3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride

C5H9ClF3NO2S — CID 166000022

IUPAC3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride
SMILESCl.O=S(=O)(CC1CNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S.ClH/c6-5(7,8)12(10,11)3-4-1-9-2-4;/h4,9H,1-3H2;1H
InChIKeyZEOCHSXIOGAHOU-UHFFFAOYSA-N
MW239.65 g/mol
LogP0.56
Rot. Bonds2

About 3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride

3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride (PubChem CID 166000022) has the molecular formula C5H9ClF3NO2S and a molecular weight of 239.65 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride
PubChem CID166000022
Molecular FormulaC5H9ClF3NO2S
Molecular Weight239.65 g/mol
Exact Mass239.00
IUPAC Name3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride
SMILESCl.O=S(=O)(CC1CNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S.ClH/c6-5(7,8)12(10,11)3-4-1-9-2-4;/h4,9H,1-3H2;1H
InChIKeyZEOCHSXIOGAHOU-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride?
The IUPAC name of 3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride (CID 166000022) is 3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride?
The canonical SMILES for 3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride is Cl.O=S(=O)(CC1CNC1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride?
The InChIKey is ZEOCHSXIOGAHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S.ClH/c6-5(7,8)12(10,11)3-4-1-9-2-4;/h4,9H,1-3H2;1H.
What are the key properties of 3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride?
3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride has a molecular weight of 239.65 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonylmethyl)azetidine;hydrochloride is sourced from PubChem (CID 166000022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).