3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine

C20H22F3NO2 — CID 121418327

IUPAC3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine
SMILESCC1(Oc2ccc(C(F)(F)F)cc2)CCN(CCOc2ccccc2)C1
InChIInChI=1S/C20H22F3NO2/c1-19(26-18-9-7-16(8-10-18)20(21,22)23)11-12-24(15-19)13-14-25-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyPUWJXXOHMNFSLV-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.63
Rot. Bonds6

About 3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine

3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine (PubChem CID 121418327) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine
PubChem CID121418327
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine
SMILESCC1(Oc2ccc(C(F)(F)F)cc2)CCN(CCOc2ccccc2)C1
InChIInChI=1S/C20H22F3NO2/c1-19(26-18-9-7-16(8-10-18)20(21,22)23)11-12-24(15-19)13-14-25-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyPUWJXXOHMNFSLV-UHFFFAOYSA-N
XLogP4.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine?
The IUPAC name of 3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine (CID 121418327) is 3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine.
What is the SMILES notation for 3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine?
The canonical SMILES for 3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine is CC1(Oc2ccc(C(F)(F)F)cc2)CCN(CCOc2ccccc2)C1.
What is the InChIKey of 3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine?
The InChIKey is PUWJXXOHMNFSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-19(26-18-9-7-16(8-10-18)20(21,22)23)11-12-24(15-19)13-14-25-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3.
What are the key properties of 3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine?
3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine has a molecular weight of 365.40 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenoxyethyl)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine is sourced from PubChem (CID 121418327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).