3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine

C9H11BrFNO — CID 130686390

IUPAC3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine
SMILESFC1(Cc2ccc(Br)o2)CCNC1
InChIInChI=1S/C9H11BrFNO/c10-8-2-1-7(13-8)5-9(11)3-4-12-6-9/h1-2,12H,3-6H2
InChIKeyFNXLIMOFNGITMQ-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.29
Rot. Bonds2

About 3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine

3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine (PubChem CID 130686390) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine
PubChem CID130686390
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine
SMILESFC1(Cc2ccc(Br)o2)CCNC1
InChIInChI=1S/C9H11BrFNO/c10-8-2-1-7(13-8)5-9(11)3-4-12-6-9/h1-2,12H,3-6H2
InChIKeyFNXLIMOFNGITMQ-UHFFFAOYSA-N
XLogP2.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine?
The IUPAC name of 3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine (CID 130686390) is 3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine.
What is the SMILES notation for 3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine?
The canonical SMILES for 3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine is FC1(Cc2ccc(Br)o2)CCNC1.
What is the InChIKey of 3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine?
The InChIKey is FNXLIMOFNGITMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c10-8-2-1-7(13-8)5-9(11)3-4-12-6-9/h1-2,12H,3-6H2.
What are the key properties of 3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine?
3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine has a molecular weight of 248.09 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-yl)methyl]-3-fluoropyrrolidine is sourced from PubChem (CID 130686390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).