(2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride

C19H21ClF3NO2 — CID 68998882

IUPAC(2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(COc2ccc(OC[C@H]3CCCN3)cc2)cc1
InChIInChI=1S/C19H20F3NO2.ClH/c20-19(21,22)15-5-3-14(4-6-15)12-24-17-7-9-18(10-8-17)25-13-16-2-1-11-23-16;/h3-10,16,23H,1-2,11-13H2;1H/t16-;/m1./s1
InChIKeyUZVPQBCPQVGMOV-PKLMIRHRSA-N
MW387.83 g/mol
LogP4.84
Rot. Bonds6

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

(2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride (PubChem CID 68998882) has the molecular formula C19H21ClF3NO2 and a molecular weight of 387.83 g/mol. Its IUPAC name is (2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride
PubChem CID68998882
Molecular FormulaC19H21ClF3NO2
Molecular Weight387.83 g/mol
Exact Mass387.12
IUPAC Name(2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(COc2ccc(OC[C@H]3CCCN3)cc2)cc1
InChIInChI=1S/C19H20F3NO2.ClH/c20-19(21,22)15-5-3-14(4-6-15)12-24-17-7-9-18(10-8-17)25-13-16-2-1-11-23-16;/h3-10,16,23H,1-2,11-13H2;1H/t16-;/m1./s1
InChIKeyUZVPQBCPQVGMOV-PKLMIRHRSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 69001620
1-[4-(pyrrolidin-2-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 134389097
hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride
CID 69001552
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide
CID 145418762
hydron;(2R)-2-[[4-[(4-iodophenyl)methyl]phenoxy]methyl]pyrrolidine;chloride
CID 69001652
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
piperidin-2-ylmethoxy-bis[4-(trifluoromethyl)phenyl]borane
CID 101217839

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride (CID 68998882) is (2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride is Cl.FC(F)(F)c1ccc(COc2ccc(OC[C@H]3CCCN3)cc2)cc1.
What is the InChIKey of (2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride?
The InChIKey is UZVPQBCPQVGMOV-PKLMIRHRSA-N. The full InChI is InChI=1S/C19H20F3NO2.ClH/c20-19(21,22)15-5-3-14(4-6-15)12-24-17-7-9-18(10-8-17)25-13-16-2-1-11-23-16;/h3-10,16,23H,1-2,11-13H2;1H/t16-;/m1./s1.
What are the key properties of (2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride?
(2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride has a molecular weight of 387.83 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 68998882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).