8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one

C10H8BrFO — CID 131343889

IUPAC8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2c(F)ccc(Br)c2C1
InChIInChI=1S/C10H8BrFO/c11-9-3-4-10(12)7-2-1-6(13)5-8(7)9/h3-4H,1-2,5H2
InChIKeyBAYPQZBRSACYBQ-UHFFFAOYSA-N
MW243.07 g/mol
LogP2.65
Rot. Bonds

About 8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one

8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 131343889) has the molecular formula C10H8BrFO and a molecular weight of 243.07 g/mol. Its IUPAC name is 8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one
PubChem CID131343889
Molecular FormulaC10H8BrFO
Molecular Weight243.07 g/mol
Exact Mass241.97
IUPAC Name8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2c(F)ccc(Br)c2C1
InChIInChI=1S/C10H8BrFO/c11-9-3-4-10(12)7-2-1-6(13)5-8(7)9/h3-4H,1-2,5H2
InChIKeyBAYPQZBRSACYBQ-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-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 8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one (CID 131343889) is 8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2c(F)ccc(Br)c2C1.
What is the InChIKey of 8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is BAYPQZBRSACYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFO/c11-9-3-4-10(12)7-2-1-6(13)5-8(7)9/h3-4H,1-2,5H2.
What are the key properties of 8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one?
8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 243.07 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 131343889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).