1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride

C19H22ClF2NO — CID 3024524

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
SMILESCl.Fc1ccc(C(OCCN2CCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21F2NO.ClH/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)23-14-13-22-11-1-2-12-22;/h3-10,19H,1-2,11-14H2;1H
InChIKeyJUOPZCKECYEAPF-UHFFFAOYSA-N
MW353.84 g/mol
LogP4.59
Rot. Bonds6

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride (PubChem CID 3024524) has the molecular formula C19H22ClF2NO and a molecular weight of 353.84 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
PubChem CID3024524
Molecular FormulaC19H22ClF2NO
Molecular Weight353.84 g/mol
Exact Mass353.14
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
SMILESCl.Fc1ccc(C(OCCN2CCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21F2NO.ClH/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)23-14-13-22-11-1-2-12-22;/h3-10,19H,1-2,11-14H2;1H
InChIKeyJUOPZCKECYEAPF-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride 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

1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024525
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride
CID 53347186
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]-4-prop-2-ynylpiperazine;dihydrochloride
CID 88633293
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
CID 139851809
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazine
CID 10479663
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-methylpiperazine-1-carbothioamide;hydrochloride
CID 23371521
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
(1S)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 10027543
N-[4-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]butan-2-ylidene]hydroxylamine
CID 86747464

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride (CID 3024524) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride is Cl.Fc1ccc(C(OCCN2CCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride?
The InChIKey is JUOPZCKECYEAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO.ClH/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)23-14-13-22-11-1-2-12-22;/h3-10,19H,1-2,11-14H2;1H.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride has a molecular weight of 353.84 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 3024524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).