3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride

C5H9ClF3NS — CID 155144808

IUPAC3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)SC1CCNC1
InChIInChI=1S/C5H8F3NS.ClH/c6-5(7,8)10-4-1-2-9-3-4;/h4,9H,1-3H2;1H
InChIKeyNTKMYULKFSUFFC-UHFFFAOYSA-N
MW207.65 g/mol
LogP2.02
Rot. Bonds1

About 3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride

3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride (PubChem CID 155144808) has the molecular formula C5H9ClF3NS and a molecular weight of 207.65 g/mol. Its IUPAC name is 3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride
PubChem CID155144808
Molecular FormulaC5H9ClF3NS
Molecular Weight207.65 g/mol
Exact Mass207.01
IUPAC Name3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)SC1CCNC1
InChIInChI=1S/C5H8F3NS.ClH/c6-5(7,8)10-4-1-2-9-3-4;/h4,9H,1-3H2;1H
InChIKeyNTKMYULKFSUFFC-UHFFFAOYSA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.65
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride (CID 155144808) is 3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride is Cl.FC(F)(F)SC1CCNC1.
What is the InChIKey of 3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride?
The InChIKey is NTKMYULKFSUFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NS.ClH/c6-5(7,8)10-4-1-2-9-3-4;/h4,9H,1-3H2;1H.
What are the key properties of 3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride?
3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride has a molecular weight of 207.65 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfanyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 155144808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).