2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one

C8H7BrF3NO2 — CID 116593005

IUPAC2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC(N)(C(=O)c1occc1Br)C(F)(F)F
InChIInChI=1S/C8H7BrF3NO2/c1-7(13,8(10,11)12)6(14)5-4(9)2-3-15-5/h2-3H,13H2,1H3
InChIKeyZCEWCGGUJDMSPN-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.50
Rot. Bonds2

About 2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one

2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one (PubChem CID 116593005) has the molecular formula C8H7BrF3NO2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
PubChem CID116593005
Molecular FormulaC8H7BrF3NO2
Molecular Weight286.05 g/mol
Exact Mass284.96
IUPAC Name2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC(N)(C(=O)c1occc1Br)C(F)(F)F
InChIInChI=1S/C8H7BrF3NO2/c1-7(13,8(10,11)12)6(14)5-4(9)2-3-15-5/h2-3H,13H2,1H3
InChIKeyZCEWCGGUJDMSPN-UHFFFAOYSA-N
XLogP2.50
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one (CID 116593005) is 2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one is CC(N)(C(=O)c1occc1Br)C(F)(F)F.
What is the InChIKey of 2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The InChIKey is ZCEWCGGUJDMSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2/c1-7(13,8(10,11)12)6(14)5-4(9)2-3-15-5/h2-3H,13H2,1H3.
What are the key properties of 2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one has a molecular weight of 286.05 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one is sourced from PubChem (CID 116593005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).