3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride

C5H9ClF3NO2S — CID 155144841

IUPAC3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride
SMILESCl.O=S(=O)(C1CCNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S.ClH/c6-5(7,8)12(10,11)4-1-2-9-3-4;/h4,9H,1-3H2;1H
InChIKeyBATVMGQJPOEOHZ-UHFFFAOYSA-N
MW239.65 g/mol
LogP0.70
Rot. Bonds1

About 3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride

3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride (PubChem CID 155144841) has the molecular formula C5H9ClF3NO2S and a molecular weight of 239.65 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride
PubChem CID155144841
Molecular FormulaC5H9ClF3NO2S
Molecular Weight239.65 g/mol
Exact Mass239.00
IUPAC Name3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride
SMILESCl.O=S(=O)(C1CCNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S.ClH/c6-5(7,8)12(10,11)4-1-2-9-3-4;/h4,9H,1-3H2;1H
InChIKeyBATVMGQJPOEOHZ-UHFFFAOYSA-N
XLogP0.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methylsulfonyl)pyrrolidine
CID 3419356
3-Methanesulfonylpyrrolidine hydrochloride
CID 70700885
3-(Ethanesulfonyl)pyrrolidine hydrochloride
CID 72716323
3-(Propane-2-sulfonyl)pyrrolidine hydrochloride
CID 72716324
Pyrrolidine-3-sulfonyl fluoride hydrochloride
CID 132344065
3-Methanesulfonyl-4-(trifluoromethyl)pyrrolidine
CID 122237253
3-(Ethanesulfonyl)pyrrolidine
CID 53403988
3-(Propane-2-sulfonyl)pyrrolidine
CID 71777939
2-(3,3-Difluoropyrrolidin-1-yl)sulfonylethanamine
CID 131187813
3-Trifluoromethanesulfonylpyrrolidine
CID 155144842
(2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine
CID 159478132
Methanidyl-[3-(trifluoromethylsulfonyl)propyl]azanium
CID 161949428

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride (CID 155144841) is 3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride is Cl.O=S(=O)(C1CCNC1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride?
The InChIKey is BATVMGQJPOEOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S.ClH/c6-5(7,8)12(10,11)4-1-2-9-3-4;/h4,9H,1-3H2;1H.
What are the key properties of 3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride?
3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride has a molecular weight of 239.65 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 155144841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).