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

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Related Compounds

(3S)-3-[(1S)-2-methylsulfonyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;hydrate
CID 66974891
3-[(1R)-3-methylsulfonyl-1-[4-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 56960764
(3S)-3-[(1S)-2-methylsulfanyl-1-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 66860712
(2S)-N,N-dimethyl-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethanesulfonamide
CID 67777056
(3S)-3-[(3R)-pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenoxy]propane-1-sulfonamide
CID 140583207
(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 66890766
(3S)-3-[(1S)-3-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 67122479
N-[(2S)-2-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 67777309
N-[(2R)-2-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 67774785
3-[1-(4-methylphenoxy)propyl]pyrrolidine
CID 173284733
N-[2-[(2S)-2-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfonylethyl]acetamide
CID 66974857
3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine
CID 66859931

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).