hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride

C19H21ClF3NO2 — CID 69001552

IUPAChydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride
SMILESFC(F)(F)c1cccc(COc2ccc(OC[C@H]3CCCN3)cc2)c1.[Cl-].[H+]
InChIInChI=1S/C19H20F3NO2.ClH/c20-19(21,22)15-4-1-3-14(11-15)12-24-17-6-8-18(9-7-17)25-13-16-5-2-10-23-16;/h1,3-4,6-9,11,16,23H,2,5,10,12-13H2;1H/t16-;/m1./s1
InChIKeyJVJOHTPJRZNADZ-PKLMIRHRSA-N
MW387.83 g/mol
LogP1.53
Rot. Bonds6

About hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride

hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride (PubChem CID 69001552) has the molecular formula C19H21ClF3NO2 and a molecular weight of 387.83 g/mol. Its IUPAC name is hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride.

Molecular Properties

Compound Namehydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride
PubChem CID69001552
Molecular FormulaC19H21ClF3NO2
Molecular Weight387.83 g/mol
Exact Mass387.12
IUPAC Namehydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride
SMILESFC(F)(F)c1cccc(COc2ccc(OC[C@H]3CCCN3)cc2)c1.[Cl-].[H+]
InChIInChI=1S/C19H20F3NO2.ClH/c20-19(21,22)15-4-1-3-14(11-15)12-24-17-6-8-18(9-7-17)25-13-16-5-2-10-23-16;/h1,3-4,6-9,11,16,23H,2,5,10,12-13H2;1H/t16-;/m1./s1
InChIKeyJVJOHTPJRZNADZ-PKLMIRHRSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride 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

(2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 68998882
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 69001620
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 63985573
(2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 102820162
2-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]pyrrolidine
CID 115070999
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
1-[4-(pyrrolidin-2-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 134389097
hydron;(2R)-2-[[4-[(4-iodophenyl)methyl]phenoxy]methyl]pyrrolidine;chloride
CID 69001652
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747

Frequently Asked Questions

What is the IUPAC name of hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride?
The IUPAC name of hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride (CID 69001552) is hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride.
What is the SMILES notation for hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride?
The canonical SMILES for hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride is FC(F)(F)c1cccc(COc2ccc(OC[C@H]3CCCN3)cc2)c1.[Cl-].[H+].
What is the InChIKey of hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride?
The InChIKey is JVJOHTPJRZNADZ-PKLMIRHRSA-N. The full InChI is InChI=1S/C19H20F3NO2.ClH/c20-19(21,22)15-4-1-3-14(11-15)12-24-17-6-8-18(9-7-17)25-13-16-5-2-10-23-16;/h1,3-4,6-9,11,16,23H,2,5,10,12-13H2;1H/t16-;/m1./s1.
What are the key properties of hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride?
hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride has a molecular weight of 387.83 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride is sourced from PubChem (CID 69001552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).