2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate

C16H18FO2- — CID 20665987

IUPAC2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate
SMILESCc1cc(C)c(C2=C([O-])C(C)(C)CC2=O)c(C)c1F
InChIInChI=1S/C16H19FO2/c1-8-6-9(2)14(17)10(3)12(8)13-11(18)7-16(4,5)15(13)19/h6,19H,7H2,1-5H3/p-1
InChIKeyJQBMHGYDLRGYCH-UHFFFAOYSA-M
MW261.32 g/mol
LogP2.82
Rot. Bonds1

About 2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate

2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate (PubChem CID 20665987) has the molecular formula C16H18FO2- and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate.

Molecular Properties

Compound Name2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate
PubChem CID20665987
Molecular FormulaC16H18FO2-
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate
SMILESCc1cc(C)c(C2=C([O-])C(C)(C)CC2=O)c(C)c1F
InChIInChI=1S/C16H19FO2/c1-8-6-9(2)14(17)10(3)12(8)13-11(18)7-16(4,5)15(13)19/h6,19H,7H2,1-5H3/p-1
InChIKeyJQBMHGYDLRGYCH-UHFFFAOYSA-M
XLogP2.82
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate 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 2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate?
The IUPAC name of 2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate (CID 20665987) is 2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate.
What is the SMILES notation for 2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate?
The canonical SMILES for 2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate is Cc1cc(C)c(C2=C([O-])C(C)(C)CC2=O)c(C)c1F.
What is the InChIKey of 2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate?
The InChIKey is JQBMHGYDLRGYCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H19FO2/c1-8-6-9(2)14(17)10(3)12(8)13-11(18)7-16(4,5)15(13)19/h6,19H,7H2,1-5H3/p-1.
What are the key properties of 2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate?
2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate has a molecular weight of 261.32 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2,4,6-trimethylphenyl)-5,5-dimethyl-3-oxocyclopenten-1-olate is sourced from PubChem (CID 20665987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).