6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one

C12H6ClFO2 — CID 172860616

IUPAC6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one
SMILESO=C1Cc2c(F)ccc3c(Cl)c(O)cc1c23
InChIInChI=1S/C12H6ClFO2/c13-12-5-1-2-8(14)6-3-9(15)7(11(5)6)4-10(12)16/h1-2,4,16H,3H2
InChIKeyZHLIJCTTXBYZDB-UHFFFAOYSA-N
MW236.63 g/mol
LogP3.08
Rot. Bonds

About 6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one

6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one (PubChem CID 172860616) has the molecular formula C12H6ClFO2 and a molecular weight of 236.63 g/mol. Its IUPAC name is 6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one.

Molecular Properties

Compound Name6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one
PubChem CID172860616
Molecular FormulaC12H6ClFO2
Molecular Weight236.63 g/mol
Exact Mass236.00
IUPAC Name6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one
SMILESO=C1Cc2c(F)ccc3c(Cl)c(O)cc1c23
InChIInChI=1S/C12H6ClFO2/c13-12-5-1-2-8(14)6-3-9(15)7(11(5)6)4-10(12)16/h1-2,4,16H,3H2
InChIKeyZHLIJCTTXBYZDB-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.63
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-3-fluoro-7-hydroxy-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 6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one?
The IUPAC name of 6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one (CID 172860616) is 6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one.
What is the SMILES notation for 6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one?
The canonical SMILES for 6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one is O=C1Cc2c(F)ccc3c(Cl)c(O)cc1c23.
What is the InChIKey of 6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one?
The InChIKey is ZHLIJCTTXBYZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFO2/c13-12-5-1-2-8(14)6-3-9(15)7(11(5)6)4-10(12)16/h1-2,4,16H,3H2.
What are the key properties of 6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one?
6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one has a molecular weight of 236.63 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one is sourced from PubChem (CID 172860616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).