2-(trifluoromethylsulfanylmethyl)pyrrolidine

C6H10F3NS — CID 54772403

IUPAC2-(trifluoromethylsulfanylmethyl)pyrrolidine
SMILESFC(F)(F)SCC1CCCN1
InChIInChI=1S/C6H10F3NS/c7-6(8,9)11-4-5-2-1-3-10-5/h5,10H,1-4H2
InChIKeySPNFBRQPUJJSQT-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.99
Rot. Bonds2

About 2-(trifluoromethylsulfanylmethyl)pyrrolidine

2-(trifluoromethylsulfanylmethyl)pyrrolidine (PubChem CID 54772403) has the molecular formula C6H10F3NS and a molecular weight of 185.21 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(trifluoromethylsulfanylmethyl)pyrrolidine
PubChem CID54772403
Molecular FormulaC6H10F3NS
Molecular Weight185.21 g/mol
Exact Mass185.05
IUPAC Name2-(trifluoromethylsulfanylmethyl)pyrrolidine
SMILESFC(F)(F)SCC1CCCN1
InChIInChI=1S/C6H10F3NS/c7-6(8,9)11-4-5-2-1-3-10-5/h5,10H,1-4H2
InChIKeySPNFBRQPUJJSQT-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanylmethyl)pyrrolidine?
The IUPAC name of 2-(trifluoromethylsulfanylmethyl)pyrrolidine (CID 54772403) is 2-(trifluoromethylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 2-(trifluoromethylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 2-(trifluoromethylsulfanylmethyl)pyrrolidine is FC(F)(F)SCC1CCCN1.
What is the InChIKey of 2-(trifluoromethylsulfanylmethyl)pyrrolidine?
The InChIKey is SPNFBRQPUJJSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS/c7-6(8,9)11-4-5-2-1-3-10-5/h5,10H,1-4H2.
What are the key properties of 2-(trifluoromethylsulfanylmethyl)pyrrolidine?
2-(trifluoromethylsulfanylmethyl)pyrrolidine has a molecular weight of 185.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 54772403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).