(3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine

C19H20F3NO — CID 16747594

IUPAC(3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
SMILESFC(F)(F)c1ccccc1COC[C@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)18-9-5-4-8-15(18)12-24-13-16-10-23-11-17(16)14-6-2-1-3-7-14/h1-9,16-17,23H,10-13H2/t16-,17+/m1/s1
InChIKeyHTJIDHLAMXPLAY-SJORKVTESA-N
MW335.37 g/mol
LogP4.23
Rot. Bonds5

About (3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine

(3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine (PubChem CID 16747594) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is (3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
PubChem CID16747594
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name(3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
SMILESFC(F)(F)c1ccccc1COC[C@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)18-9-5-4-8-15(18)12-24-13-16-10-23-11-17(16)14-6-2-1-3-7-14/h1-9,16-17,23H,10-13H2/t16-,17+/m1/s1
InChIKeyHTJIDHLAMXPLAY-SJORKVTESA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Talopram
CID 23573
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10047566
(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-N-ethyl-2-(4-fluorophenyl)cyclopentanamine
CID 22885691
(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)-N-methylcyclopentanamine
CID 22885692
(+/-)-trans-3-(3,5-bis(trifluoromethyl)benzyloxy)-N-methyl-2-phenylcyclopentanamine
CID 44415550
HP 505
CID 191510
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine
CID 10364638
4-Phenyl-4-(2-trifluoromethyl-benzyloxymethyl)-piperidine
CID 10548166
4-Phenyl-4-(3-trifluoromethyl-benzyloxymethyl)-piperidine
CID 10620143
4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-phenylazocane
CID 11619202
4-Phenyl-4-(4-trifluoromethyl-benzyloxymethyl)-piperidine
CID 19960248
4-[[3-(2-Methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24783421

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine?
The IUPAC name of (3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine (CID 16747594) is (3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine.
What is the SMILES notation for (3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine?
The canonical SMILES for (3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine is FC(F)(F)c1ccccc1COC[C@H]1CNC[C@H]1c1ccccc1.
What is the InChIKey of (3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine?
The InChIKey is HTJIDHLAMXPLAY-SJORKVTESA-N. The full InChI is InChI=1S/C19H20F3NO/c20-19(21,22)18-9-5-4-8-15(18)12-24-13-16-10-23-11-17(16)14-6-2-1-3-7-14/h1-9,16-17,23H,10-13H2/t16-,17+/m1/s1.
What are the key properties of (3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine?
(3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine has a molecular weight of 335.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine is sourced from PubChem (CID 16747594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).