1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine

C19H20F3NO — CID 117068544

IUPAC1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
SMILESFC(F)(F)c1cccc(OC(CN2CCCC2)c2ccccc2)c1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)16-9-6-10-17(13-16)24-18(14-23-11-4-5-12-23)15-7-2-1-3-8-15/h1-3,6-10,13,18H,4-5,11-12,14H2
InChIKeyQXBFSKMCWGOYSU-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.92
Rot. Bonds5

About 1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine

1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine (PubChem CID 117068544) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
PubChem CID117068544
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
SMILESFC(F)(F)c1cccc(OC(CN2CCCC2)c2ccccc2)c1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)16-9-6-10-17(13-16)24-18(14-23-11-4-5-12-23)15-7-2-1-3-8-15/h1-3,6-10,13,18H,4-5,11-12,14H2
InChIKeyQXBFSKMCWGOYSU-UHFFFAOYSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine (CID 117068544) is 1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine is FC(F)(F)c1cccc(OC(CN2CCCC2)c2ccccc2)c1.
What is the InChIKey of 1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The InChIKey is QXBFSKMCWGOYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c20-19(21,22)16-9-6-10-17(13-16)24-18(14-23-11-4-5-12-23)15-7-2-1-3-8-15/h1-3,6-10,13,18H,4-5,11-12,14H2.
What are the key properties of 1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine has a molecular weight of 335.37 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 117068544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).