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

C18H19ClF3NO2 — CID 69001620

IUPAC2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(Oc2ccc(OCC3CCCN3)cc2)cc1
InChIInChI=1S/C18H18F3NO2.ClH/c19-18(20,21)13-3-5-16(6-4-13)24-17-9-7-15(8-10-17)23-12-14-2-1-11-22-14;/h3-10,14,22H,1-2,11-12H2;1H
InChIKeyOZJXIBHAXBGYSU-UHFFFAOYSA-N
MW373.80 g/mol
LogP5.05
Rot. Bonds5

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

2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride (PubChem CID 69001620) has the molecular formula C18H19ClF3NO2 and a molecular weight of 373.80 g/mol. Its IUPAC name is 2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
PubChem CID69001620
Molecular FormulaC18H19ClF3NO2
Molecular Weight373.80 g/mol
Exact Mass373.11
IUPAC Name2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(Oc2ccc(OCC3CCCN3)cc2)cc1
InChIInChI=1S/C18H18F3NO2.ClH/c19-18(20,21)13-3-5-16(6-4-13)24-17-9-7-15(8-10-17)23-12-14-2-1-11-22-14;/h3-10,14,22H,1-2,11-12H2;1H
InChIKeyOZJXIBHAXBGYSU-UHFFFAOYSA-N
XLogP5.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.80
LogP ≤ 55.05
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
(2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 68998882
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
1-[4-(pyrrolidin-2-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 134389097
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride
CID 68998757
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride
CID 69001552
piperidin-2-ylmethoxy-bis[4-(trifluoromethyl)phenyl]borane
CID 101217839
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]pyridine
CID 58852476

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride?
The IUPAC name of 2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride (CID 69001620) is 2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride is Cl.FC(F)(F)c1ccc(Oc2ccc(OCC3CCCN3)cc2)cc1.
What is the InChIKey of 2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride?
The InChIKey is OZJXIBHAXBGYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2.ClH/c19-18(20,21)13-3-5-16(6-4-13)24-17-9-7-15(8-10-17)23-12-14-2-1-11-22-14;/h3-10,14,22H,1-2,11-12H2;1H.
What are the key properties of 2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride?
2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride has a molecular weight of 373.80 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 69001620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).