3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride

C5H10ClF2NO2S — CID 139026412

IUPAC3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride
SMILESCl.O=S(=O)(CC1CNC1)C(F)F
InChIInChI=1S/C5H9F2NO2S.ClH/c6-5(7)11(9,10)3-4-1-8-2-4;/h4-5,8H,1-3H2;1H
InChIKeyZJQVCJUXTJYMSG-UHFFFAOYSA-N
MW221.66 g/mol
LogP0.26
Rot. Bonds3

About 3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride

3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride (PubChem CID 139026412) has the molecular formula C5H10ClF2NO2S and a molecular weight of 221.66 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride
PubChem CID139026412
Molecular FormulaC5H10ClF2NO2S
Molecular Weight221.66 g/mol
Exact Mass221.01
IUPAC Name3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride
SMILESCl.O=S(=O)(CC1CNC1)C(F)F
InChIInChI=1S/C5H9F2NO2S.ClH/c6-5(7)11(9,10)3-4-1-8-2-4;/h4-5,8H,1-3H2;1H
InChIKeyZJQVCJUXTJYMSG-UHFFFAOYSA-N
XLogP0.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride?
The IUPAC name of 3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride (CID 139026412) is 3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride?
The canonical SMILES for 3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride is Cl.O=S(=O)(CC1CNC1)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride?
The InChIKey is ZJQVCJUXTJYMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S.ClH/c6-5(7)11(9,10)3-4-1-8-2-4;/h4-5,8H,1-3H2;1H.
What are the key properties of 3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride?
3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride has a molecular weight of 221.66 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylmethyl)azetidine;hydrochloride is sourced from PubChem (CID 139026412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).