4-(fluoromethyl)acenaphthylene-1,2-dione

C13H7FO2 — CID 70971024

IUPAC4-(fluoromethyl)acenaphthylene-1,2-dione
SMILESO=C1C(=O)c2cc(CF)cc3cccc1c23
InChIInChI=1S/C13H7FO2/c14-6-7-4-8-2-1-3-9-11(8)10(5-7)13(16)12(9)15/h1-5H,6H2
InChIKeyOVWBOQJNNDLGRF-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.69
Rot. Bonds1

About 4-(fluoromethyl)acenaphthylene-1,2-dione

4-(fluoromethyl)acenaphthylene-1,2-dione (PubChem CID 70971024) has the molecular formula C13H7FO2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 4-(fluoromethyl)acenaphthylene-1,2-dione.

Molecular Properties

Compound Name4-(fluoromethyl)acenaphthylene-1,2-dione
PubChem CID70971024
Molecular FormulaC13H7FO2
Molecular Weight214.19 g/mol
Exact Mass214.04
IUPAC Name4-(fluoromethyl)acenaphthylene-1,2-dione
SMILESO=C1C(=O)c2cc(CF)cc3cccc1c23
InChIInChI=1S/C13H7FO2/c14-6-7-4-8-2-1-3-9-11(8)10(5-7)13(16)12(9)15/h1-5H,6H2
InChIKeyOVWBOQJNNDLGRF-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-(fluoromethyl)acenaphthylene-1,2-dione 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 4-(fluoromethyl)acenaphthylene-1,2-dione?
The IUPAC name of 4-(fluoromethyl)acenaphthylene-1,2-dione (CID 70971024) is 4-(fluoromethyl)acenaphthylene-1,2-dione.
What is the SMILES notation for 4-(fluoromethyl)acenaphthylene-1,2-dione?
The canonical SMILES for 4-(fluoromethyl)acenaphthylene-1,2-dione is O=C1C(=O)c2cc(CF)cc3cccc1c23.
What is the InChIKey of 4-(fluoromethyl)acenaphthylene-1,2-dione?
The InChIKey is OVWBOQJNNDLGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FO2/c14-6-7-4-8-2-1-3-9-11(8)10(5-7)13(16)12(9)15/h1-5H,6H2.
What are the key properties of 4-(fluoromethyl)acenaphthylene-1,2-dione?
4-(fluoromethyl)acenaphthylene-1,2-dione has a molecular weight of 214.19 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)acenaphthylene-1,2-dione is sourced from PubChem (CID 70971024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).