3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine

C15H20F3NOS — CID 66861082

IUPAC3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
SMILESCCSC[C@H](Oc1ccc(C(F)(F)F)cc1)C1CCNC1
InChIInChI=1S/C15H20F3NOS/c1-2-21-10-14(11-7-8-19-9-11)20-13-5-3-12(4-6-13)15(16,17)18/h3-6,11,14,19H,2,7-10H2,1H3/t11?,14-/m0/s1
InChIKeyQOYLRDCVCBYEBG-IAXJKZSUSA-N
MW319.39 g/mol
LogP3.82
Rot. Bonds6

About 3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine

3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine (PubChem CID 66861082) has the molecular formula C15H20F3NOS and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
PubChem CID66861082
Molecular FormulaC15H20F3NOS
Molecular Weight319.39 g/mol
Exact Mass319.12
IUPAC Name3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
SMILESCCSC[C@H](Oc1ccc(C(F)(F)F)cc1)C1CCNC1
InChIInChI=1S/C15H20F3NOS/c1-2-21-10-14(11-7-8-19-9-11)20-13-5-3-12(4-6-13)15(16,17)18/h3-6,11,14,19H,2,7-10H2,1H3/t11?,14-/m0/s1
InChIKeyQOYLRDCVCBYEBG-IAXJKZSUSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine (CID 66861082) is 3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine is CCSC[C@H](Oc1ccc(C(F)(F)F)cc1)C1CCNC1.
What is the InChIKey of 3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The InChIKey is QOYLRDCVCBYEBG-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H20F3NOS/c1-2-21-10-14(11-7-8-19-9-11)20-13-5-3-12(4-6-13)15(16,17)18/h3-6,11,14,19H,2,7-10H2,1H3/t11?,14-/m0/s1.
What are the key properties of 3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine has a molecular weight of 319.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 66861082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).