3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine

C6H10F3NS — CID 135172281

IUPAC3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine
SMILESCSC1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H10F3NS/c1-11-5(6(7,8)9)2-3-10-4-5/h10H,2-4H2,1H3
InChIKeyXRYZKQSVNNETNT-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.64
Rot. Bonds1

About 3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine

3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine (PubChem CID 135172281) has the molecular formula C6H10F3NS and a molecular weight of 185.21 g/mol. Its IUPAC name is 3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine
PubChem CID135172281
Molecular FormulaC6H10F3NS
Molecular Weight185.21 g/mol
Exact Mass185.05
IUPAC Name3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine
SMILESCSC1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H10F3NS/c1-11-5(6(7,8)9)2-3-10-4-5/h10H,2-4H2,1H3
InChIKeyXRYZKQSVNNETNT-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine (CID 135172281) is 3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine is CSC1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is XRYZKQSVNNETNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS/c1-11-5(6(7,8)9)2-3-10-4-5/h10H,2-4H2,1H3.
What are the key properties of 3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine?
3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 185.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 135172281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).