(3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine

C14H18F3NO — CID 71041238

IUPAC(3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCOCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO/c1-19-8-7-18-6-5-12(10-18)11-3-2-4-13(9-11)14(15,16)17/h2-4,9,12H,5-8,10H2,1H3/t12-/m0/s1
InChIKeyWKJRFJOFWRLHMM-LBPRGKRZSA-N
MW273.30 g/mol
LogP3.14
Rot. Bonds4

About (3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine

(3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 71041238) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID71041238
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCOCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO/c1-19-8-7-18-6-5-12(10-18)11-3-2-4-13(9-11)14(15,16)17/h2-4,9,12H,5-8,10H2,1H3/t12-/m0/s1
InChIKeyWKJRFJOFWRLHMM-LBPRGKRZSA-N
XLogP3.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of (3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine (CID 71041238) is (3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for (3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for (3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine is COCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is WKJRFJOFWRLHMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-19-8-7-18-6-5-12(10-18)11-3-2-4-13(9-11)14(15,16)17/h2-4,9,12H,5-8,10H2,1H3/t12-/m0/s1.
What are the key properties of (3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
(3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 273.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 71041238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).