8-fluoro-2H-acenaphthylen-1-one

C12H7FO — CID 594034

IUPAC8-fluoro-2H-acenaphthylen-1-one
SMILESO=C1Cc2cccc3ccc(F)c1c23
InChIInChI=1S/C12H7FO/c13-9-5-4-7-2-1-3-8-6-10(14)12(9)11(7)8/h1-5H,6H2
InChIKeyWJWXMZGMNAJMBT-UHFFFAOYSA-N
MW186.19 g/mol
LogP2.72
Rot. Bonds

About 8-fluoro-2H-acenaphthylen-1-one

8-fluoro-2H-acenaphthylen-1-one (PubChem CID 594034) has the molecular formula C12H7FO and a molecular weight of 186.19 g/mol. Its IUPAC name is 8-fluoro-2H-acenaphthylen-1-one.

Molecular Properties

Compound Name8-fluoro-2H-acenaphthylen-1-one
PubChem CID594034
Molecular FormulaC12H7FO
Molecular Weight186.19 g/mol
Exact Mass186.05
IUPAC Name8-fluoro-2H-acenaphthylen-1-one
SMILESO=C1Cc2cccc3ccc(F)c1c23
InChIInChI=1S/C12H7FO/c13-9-5-4-7-2-1-3-8-6-10(14)12(9)11(7)8/h1-5H,6H2
InChIKeyWJWXMZGMNAJMBT-UHFFFAOYSA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-fluoro-2H-acenaphthylen-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 8-fluoro-2H-acenaphthylen-1-one?
The IUPAC name of 8-fluoro-2H-acenaphthylen-1-one (CID 594034) is 8-fluoro-2H-acenaphthylen-1-one.
What is the SMILES notation for 8-fluoro-2H-acenaphthylen-1-one?
The canonical SMILES for 8-fluoro-2H-acenaphthylen-1-one is O=C1Cc2cccc3ccc(F)c1c23.
What is the InChIKey of 8-fluoro-2H-acenaphthylen-1-one?
The InChIKey is WJWXMZGMNAJMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FO/c13-9-5-4-7-2-1-3-8-6-10(14)12(9)11(7)8/h1-5H,6H2.
What are the key properties of 8-fluoro-2H-acenaphthylen-1-one?
8-fluoro-2H-acenaphthylen-1-one has a molecular weight of 186.19 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2H-acenaphthylen-1-one is sourced from PubChem (CID 594034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).