3-(3-bromofuran-2-yl)-3-fluoropyrrolidine

C8H9BrFNO — CID 112564426

IUPAC3-(3-bromofuran-2-yl)-3-fluoropyrrolidine
SMILESFC1(c2occc2Br)CCNC1
InChIInChI=1S/C8H9BrFNO/c9-6-1-4-12-7(6)8(10)2-3-11-5-8/h1,4,11H,2-3,5H2
InChIKeyDXSRVBJNRAJQPK-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.20
Rot. Bonds1

About 3-(3-bromofuran-2-yl)-3-fluoropyrrolidine

3-(3-bromofuran-2-yl)-3-fluoropyrrolidine (PubChem CID 112564426) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 3-(3-bromofuran-2-yl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-(3-bromofuran-2-yl)-3-fluoropyrrolidine
PubChem CID112564426
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name3-(3-bromofuran-2-yl)-3-fluoropyrrolidine
SMILESFC1(c2occc2Br)CCNC1
InChIInChI=1S/C8H9BrFNO/c9-6-1-4-12-7(6)8(10)2-3-11-5-8/h1,4,11H,2-3,5H2
InChIKeyDXSRVBJNRAJQPK-UHFFFAOYSA-N
XLogP2.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromofuran-2-yl)-3-fluoropyrrolidine?
The IUPAC name of 3-(3-bromofuran-2-yl)-3-fluoropyrrolidine (CID 112564426) is 3-(3-bromofuran-2-yl)-3-fluoropyrrolidine.
What is the SMILES notation for 3-(3-bromofuran-2-yl)-3-fluoropyrrolidine?
The canonical SMILES for 3-(3-bromofuran-2-yl)-3-fluoropyrrolidine is FC1(c2occc2Br)CCNC1.
What is the InChIKey of 3-(3-bromofuran-2-yl)-3-fluoropyrrolidine?
The InChIKey is DXSRVBJNRAJQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c9-6-1-4-12-7(6)8(10)2-3-11-5-8/h1,4,11H,2-3,5H2.
What are the key properties of 3-(3-bromofuran-2-yl)-3-fluoropyrrolidine?
3-(3-bromofuran-2-yl)-3-fluoropyrrolidine has a molecular weight of 234.07 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromofuran-2-yl)-3-fluoropyrrolidine is sourced from PubChem (CID 112564426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).