3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine

C15H21BrFN — CID 163585810

IUPAC3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine
SMILESFCCCN1CCC(CCc2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrFN/c16-15-6-4-13(5-7-15)2-3-14-8-11-18(12-14)10-1-9-17/h4-7,14H,1-3,8-12H2
InChIKeyGLJIDSXEOQMXFM-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.06
Rot. Bonds6

About 3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine

3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine (PubChem CID 163585810) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine
PubChem CID163585810
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine
SMILESFCCCN1CCC(CCc2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrFN/c16-15-6-4-13(5-7-15)2-3-14-8-11-18(12-14)10-1-9-17/h4-7,14H,1-3,8-12H2
InChIKeyGLJIDSXEOQMXFM-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine?
The IUPAC name of 3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine (CID 163585810) is 3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine.
What is the SMILES notation for 3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine?
The canonical SMILES for 3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine is FCCCN1CCC(CCc2ccc(Br)cc2)C1.
What is the InChIKey of 3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine?
The InChIKey is GLJIDSXEOQMXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c16-15-6-4-13(5-7-15)2-3-14-8-11-18(12-14)10-1-9-17/h4-7,14H,1-3,8-12H2.
What are the key properties of 3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine?
3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine has a molecular weight of 314.24 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine is sourced from PubChem (CID 163585810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).