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

C19H21BrClFNO- — CID 53347186

IUPAC1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride
SMILESFc1ccc(C(OCCN2CCCC2)c2ccc(Br)cc2)cc1.[Cl-]
InChIInChI=1S/C19H21BrFNO.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/p-1
InChIKeyZQXBFQMZYRJGQX-UHFFFAOYSA-M
MW413.74 g/mol
LogP1.79
Rot. Bonds6

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

1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride (PubChem CID 53347186) has the molecular formula C19H21BrClFNO- and a molecular weight of 413.74 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride
PubChem CID53347186
Molecular FormulaC19H21BrClFNO-
Molecular Weight413.74 g/mol
Exact Mass412.05
IUPAC Name1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride
SMILESFc1ccc(C(OCCN2CCCC2)c2ccc(Br)cc2)cc1.[Cl-]
InChIInChI=1S/C19H21BrFNO.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/p-1
InChIKeyZQXBFQMZYRJGQX-UHFFFAOYSA-M
XLogP1.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.74
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride?
The IUPAC name of 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride (CID 53347186) is 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride.
What is the SMILES notation for 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride?
The canonical SMILES for 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride is Fc1ccc(C(OCCN2CCCC2)c2ccc(Br)cc2)cc1.[Cl-].
What is the InChIKey of 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride?
The InChIKey is ZQXBFQMZYRJGQX-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21BrFNO.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/p-1.
What are the key properties of 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride?
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride has a molecular weight of 413.74 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride is sourced from PubChem (CID 53347186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).