6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one

C10H8BrFO2 — CID 118421071

IUPAC6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one
SMILESO=C1CC(CO)c2c(F)cc(Br)cc21
InChIInChI=1S/C10H8BrFO2/c11-6-2-7-9(14)1-5(4-13)10(7)8(12)3-6/h2-3,5,13H,1,4H2
InChIKeyRUVKCYBUEOHQBA-UHFFFAOYSA-N
MW259.07 g/mol
LogP2.25
Rot. Bonds1

About 6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one

6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one (PubChem CID 118421071) has the molecular formula C10H8BrFO2 and a molecular weight of 259.07 g/mol. Its IUPAC name is 6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one
PubChem CID118421071
Molecular FormulaC10H8BrFO2
Molecular Weight259.07 g/mol
Exact Mass257.97
IUPAC Name6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one
SMILESO=C1CC(CO)c2c(F)cc(Br)cc21
InChIInChI=1S/C10H8BrFO2/c11-6-2-7-9(14)1-5(4-13)10(7)8(12)3-6/h2-3,5,13H,1,4H2
InChIKeyRUVKCYBUEOHQBA-UHFFFAOYSA-N
XLogP2.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.07
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-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 6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one (CID 118421071) is 6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one is O=C1CC(CO)c2c(F)cc(Br)cc21.
What is the InChIKey of 6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one?
The InChIKey is RUVKCYBUEOHQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFO2/c11-6-2-7-9(14)1-5(4-13)10(7)8(12)3-6/h2-3,5,13H,1,4H2.
What are the key properties of 6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one?
6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one has a molecular weight of 259.07 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 118421071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).