2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine

C9H11BrFNO — CID 106640354

IUPAC2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine
SMILESFC(c1occc1Br)C1CCCN1
InChIInChI=1S/C9H11BrFNO/c10-6-3-5-13-9(6)8(11)7-2-1-4-12-7/h3,5,7-8,12H,1-2,4H2
InChIKeyRLCMGKQYIJEMMB-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.80
Rot. Bonds2

About 2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine

2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine (PubChem CID 106640354) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine
PubChem CID106640354
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine
SMILESFC(c1occc1Br)C1CCCN1
InChIInChI=1S/C9H11BrFNO/c10-6-3-5-13-9(6)8(11)7-2-1-4-12-7/h3,5,7-8,12H,1-2,4H2
InChIKeyRLCMGKQYIJEMMB-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine?
The IUPAC name of 2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine (CID 106640354) is 2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine.
What is the SMILES notation for 2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine?
The canonical SMILES for 2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine is FC(c1occc1Br)C1CCCN1.
What is the InChIKey of 2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine?
The InChIKey is RLCMGKQYIJEMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c10-6-3-5-13-9(6)8(11)7-2-1-4-12-7/h3,5,7-8,12H,1-2,4H2.
What are the key properties of 2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine?
2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine has a molecular weight of 248.09 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromofuran-2-yl)-fluoromethyl]pyrrolidine is sourced from PubChem (CID 106640354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).