(3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine

C15H19ClF3NO — CID 66892340

IUPAC(3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine
SMILESCCC[C@H](Oc1cccc(Cl)c1C(F)(F)F)[C@@H]1CCNC1
InChIInChI=1S/C15H19ClF3NO/c1-2-4-12(10-7-8-20-9-10)21-13-6-3-5-11(16)14(13)15(17,18)19/h3,5-6,10,12,20H,2,4,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyUGEWEXGAKUEQRP-PWSUYJOCSA-N
MW321.77 g/mol
LogP4.52
Rot. Bonds5

About (3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine

(3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine (PubChem CID 66892340) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine
PubChem CID66892340
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name(3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine
SMILESCCC[C@H](Oc1cccc(Cl)c1C(F)(F)F)[C@@H]1CCNC1
InChIInChI=1S/C15H19ClF3NO/c1-2-4-12(10-7-8-20-9-10)21-13-6-3-5-11(16)14(13)15(17,18)19/h3,5-6,10,12,20H,2,4,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyUGEWEXGAKUEQRP-PWSUYJOCSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(1R)-1-(3-chloro-2-fluorophenoxy)butyl]pyrrolidine
CID 66891122
(3S)-3-[(1R)-1-(2-chlorophenoxy)butyl]pyrrolidine
CID 66892158
(3R)-3-[(1S)-1-(2,6-dichlorophenoxy)butyl]pyrrolidine
CID 66892587
(3R)-3-[(R)-[3-chloro-2-(trifluoromethyl)phenoxy]-(oxan-4-yl)methyl]pyrrolidine
CID 66848904
3-[1-(2-chloro-4-methylphenoxy)butyl]pyrrolidine
CID 77164058
(3S)-3-[(1R)-1-(2,3,4-trifluorophenoxy)butyl]pyrrolidine
CID 66892006
3-[(1S)-1-(2,3-dichlorophenoxy)-2-methylsulfanylethyl]pyrrolidine
CID 66848829
(3S)-3-[(1R)-1-(3-chloro-2-fluorophenoxy)-3-methylbutyl]pyrrolidine
CID 66892688
3-[1-(3-chloro-2-methylphenoxy)-3-methylbutyl]pyrrolidine
CID 77163909
3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine
CID 66859931
3-[(1S)-2-methylsulfonyl-1-[(3R)-pyrrolidin-3-yl]ethoxy]-2-(trifluoromethyl)benzonitrile
CID 71744689
(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 66890766

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine?
The IUPAC name of (3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine (CID 66892340) is (3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine is CCC[C@H](Oc1cccc(Cl)c1C(F)(F)F)[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine?
The InChIKey is UGEWEXGAKUEQRP-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-2-4-12(10-7-8-20-9-10)21-13-6-3-5-11(16)14(13)15(17,18)19/h3,5-6,10,12,20H,2,4,7-9H2,1H3/t10-,12+/m1/s1.
What are the key properties of (3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine?
(3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine has a molecular weight of 321.77 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine is sourced from PubChem (CID 66892340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).