2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine

C8H12FNO — CID 84763841

IUPAC2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc(F)o1
InChIInChI=1S/C8H12FNO/c1-8(2,5-10)6-3-4-7(9)11-6/h3-4H,5,10H2,1-2H3
InChIKeyJGBJSMWHDHBBIK-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.65
Rot. Bonds2

About 2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine

2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine (PubChem CID 84763841) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine
PubChem CID84763841
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc(F)o1
InChIInChI=1S/C8H12FNO/c1-8(2,5-10)6-3-4-7(9)11-6/h3-4H,5,10H2,1-2H3
InChIKeyJGBJSMWHDHBBIK-UHFFFAOYSA-N
XLogP1.65
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine (CID 84763841) is 2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine is CC(C)(CN)c1ccc(F)o1.
What is the InChIKey of 2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine?
The InChIKey is JGBJSMWHDHBBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-8(2,5-10)6-3-4-7(9)11-6/h3-4H,5,10H2,1-2H3.
What are the key properties of 2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine?
2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine has a molecular weight of 157.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 84763841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).