2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine

C7H9BrFNO — CID 83822719

IUPAC2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine
SMILESNCC(CF)c1ccc(Br)o1
InChIInChI=1S/C7H9BrFNO/c8-7-2-1-6(11-7)5(3-9)4-10/h1-2,5H,3-4,10H2
InChIKeyZODXGHUBZVEDBG-UHFFFAOYSA-N
MW222.06 g/mol
LogP2.05
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine

2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine (PubChem CID 83822719) has the molecular formula C7H9BrFNO and a molecular weight of 222.06 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine
PubChem CID83822719
Molecular FormulaC7H9BrFNO
Molecular Weight222.06 g/mol
Exact Mass220.99
IUPAC Name2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine
SMILESNCC(CF)c1ccc(Br)o1
InChIInChI=1S/C7H9BrFNO/c8-7-2-1-6(11-7)5(3-9)4-10/h1-2,5H,3-4,10H2
InChIKeyZODXGHUBZVEDBG-UHFFFAOYSA-N
XLogP2.05
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.06
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine?
The IUPAC name of 2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine (CID 83822719) is 2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine is NCC(CF)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine?
The InChIKey is ZODXGHUBZVEDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrFNO/c8-7-2-1-6(11-7)5(3-9)4-10/h1-2,5H,3-4,10H2.
What are the key properties of 2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine?
2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine has a molecular weight of 222.06 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-3-fluoropropan-1-amine is sourced from PubChem (CID 83822719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).