2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone

C10H9BrF2O2 — CID 130993440

IUPAC2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone
SMILESO=C(Cc1coc(Br)c1)C1CC(F)(F)C1
InChIInChI=1S/C10H9BrF2O2/c11-9-2-6(5-15-9)1-8(14)7-3-10(12,13)4-7/h2,5,7H,1,3-4H2
InChIKeyNWRRDQUULAWPJY-UHFFFAOYSA-N
MW279.08 g/mol
LogP3.20
Rot. Bonds3

About 2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone

2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone (PubChem CID 130993440) has the molecular formula C10H9BrF2O2 and a molecular weight of 279.08 g/mol. Its IUPAC name is 2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone.

Molecular Properties

Compound Name2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone
PubChem CID130993440
Molecular FormulaC10H9BrF2O2
Molecular Weight279.08 g/mol
Exact Mass277.98
IUPAC Name2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone
SMILESO=C(Cc1coc(Br)c1)C1CC(F)(F)C1
InChIInChI=1S/C10H9BrF2O2/c11-9-2-6(5-15-9)1-8(14)7-3-10(12,13)4-7/h2,5,7H,1,3-4H2
InChIKeyNWRRDQUULAWPJY-UHFFFAOYSA-N
XLogP3.20
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone 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-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone?
The IUPAC name of 2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone (CID 130993440) is 2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone.
What is the SMILES notation for 2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone?
The canonical SMILES for 2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone is O=C(Cc1coc(Br)c1)C1CC(F)(F)C1.
What is the InChIKey of 2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone?
The InChIKey is NWRRDQUULAWPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O2/c11-9-2-6(5-15-9)1-8(14)7-3-10(12,13)4-7/h2,5,7H,1,3-4H2.
What are the key properties of 2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone?
2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone has a molecular weight of 279.08 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-3-yl)-1-(3,3-difluorocyclobutyl)ethanone is sourced from PubChem (CID 130993440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).