3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide

C5H9BrF3NO2S — CID 156538110

IUPAC3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide
SMILESBr.O=S(=O)(CC1CNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S.BrH/c6-5(7,8)12(10,11)3-4-1-9-2-4;/h4,9H,1-3H2;1H
InChIKeyAAWAVOMYTKLWEC-UHFFFAOYSA-N
MW284.10 g/mol
LogP0.72
Rot. Bonds2

About 3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide

3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide (PubChem CID 156538110) has the molecular formula C5H9BrF3NO2S and a molecular weight of 284.10 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide.

Molecular Properties

Compound Name3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide
PubChem CID156538110
Molecular FormulaC5H9BrF3NO2S
Molecular Weight284.10 g/mol
Exact Mass282.95
IUPAC Name3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide
SMILESBr.O=S(=O)(CC1CNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S.BrH/c6-5(7,8)12(10,11)3-4-1-9-2-4;/h4,9H,1-3H2;1H
InChIKeyAAWAVOMYTKLWEC-UHFFFAOYSA-N
XLogP0.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide?
The IUPAC name of 3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide (CID 156538110) is 3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide.
What is the SMILES notation for 3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide?
The canonical SMILES for 3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide is Br.O=S(=O)(CC1CNC1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide?
The InChIKey is AAWAVOMYTKLWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S.BrH/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;hydrobromide?
3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide has a molecular weight of 284.10 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonylmethyl)azetidine;hydrobromide is sourced from PubChem (CID 156538110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).