1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine

C20H23BrFNO — CID 3024528

IUPAC1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine
SMILESCC(OCCN1CCCC1)(c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H23BrFNO/c1-20(16-4-8-18(21)9-5-16,17-6-10-19(22)11-7-17)24-15-14-23-12-2-3-13-23/h4-11H,2-3,12-15H2,1H3
InChIKeyTZZWXXCFTHFEAT-UHFFFAOYSA-N
MW392.31 g/mol
LogP4.96
Rot. Bonds6

About 1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine

1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine (PubChem CID 3024528) has the molecular formula C20H23BrFNO and a molecular weight of 392.31 g/mol. Its IUPAC name is 1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine
PubChem CID3024528
Molecular FormulaC20H23BrFNO
Molecular Weight392.31 g/mol
Exact Mass391.09
IUPAC Name1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine
SMILESCC(OCCN1CCCC1)(c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H23BrFNO/c1-20(16-4-8-18(21)9-5-16,17-6-10-19(22)11-7-17)24-15-14-23-12-2-3-13-23/h4-11H,2-3,12-15H2,1H3
InChIKeyTZZWXXCFTHFEAT-UHFFFAOYSA-N
XLogP4.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine
CID 19844626
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride
CID 53347186
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024525
1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole
CID 67718943
2-piperidin-1-ylethyl 4-fluorobenzoate
CID 755786
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
1-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidine
CID 70124782
1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine
CID 20773347
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]-4-prop-2-ynylpiperazine;dihydrochloride
CID 88633293
5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 67960770
N-(4-bromophenyl)-3-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propanamide
CID 78896272

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine (CID 3024528) is 1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine is CC(OCCN1CCCC1)(c1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine?
The InChIKey is TZZWXXCFTHFEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFNO/c1-20(16-4-8-18(21)9-5-16,17-6-10-19(22)11-7-17)24-15-14-23-12-2-3-13-23/h4-11H,2-3,12-15H2,1H3.
What are the key properties of 1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine?
1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine has a molecular weight of 392.31 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine is sourced from PubChem (CID 3024528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).