2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine

C16H17BrFNO — CID 69431820

IUPAC2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine
SMILESFc1ccc(CC(c2ccco2)C2CCCN2)c(Br)c1
InChIInChI=1S/C16H17BrFNO/c17-14-10-12(18)6-5-11(14)9-13(15-3-1-7-19-15)16-4-2-8-20-16/h2,4-6,8,10,13,15,19H,1,3,7,9H2
InChIKeyTYCWYHLSRVICJK-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.26
Rot. Bonds4

About 2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine

2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine (PubChem CID 69431820) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine
PubChem CID69431820
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine
SMILESFc1ccc(CC(c2ccco2)C2CCCN2)c(Br)c1
InChIInChI=1S/C16H17BrFNO/c17-14-10-12(18)6-5-11(14)9-13(15-3-1-7-19-15)16-4-2-8-20-16/h2,4-6,8,10,13,15,19H,1,3,7,9H2
InChIKeyTYCWYHLSRVICJK-UHFFFAOYSA-N
XLogP4.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine?
The IUPAC name of 2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine (CID 69431820) is 2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine is Fc1ccc(CC(c2ccco2)C2CCCN2)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine?
The InChIKey is TYCWYHLSRVICJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c17-14-10-12(18)6-5-11(14)9-13(15-3-1-7-19-15)16-4-2-8-20-16/h2,4-6,8,10,13,15,19H,1,3,7,9H2.
What are the key properties of 2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine?
2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine has a molecular weight of 338.22 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 69431820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).