5-fluoro-2,2-dimethyl-3H-inden-1-one

C11H11FO — CID 55265304

IUPAC5-fluoro-2,2-dimethyl-3H-inden-1-one
SMILESCC1(C)Cc2cc(F)ccc2C1=O
InChIInChI=1S/C11H11FO/c1-11(2)6-7-5-8(12)3-4-9(7)10(11)13/h3-5H,6H2,1-2H3
InChIKeyYLZKDXQYVAKNNL-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.59
Rot. Bonds

About 5-fluoro-2,2-dimethyl-3H-inden-1-one

5-fluoro-2,2-dimethyl-3H-inden-1-one (PubChem CID 55265304) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-fluoro-2,2-dimethyl-3H-inden-1-one.

Molecular Properties

Compound Name5-fluoro-2,2-dimethyl-3H-inden-1-one
PubChem CID55265304
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name5-fluoro-2,2-dimethyl-3H-inden-1-one
SMILESCC1(C)Cc2cc(F)ccc2C1=O
InChIInChI=1S/C11H11FO/c1-11(2)6-7-5-8(12)3-4-9(7)10(11)13/h3-5H,6H2,1-2H3
InChIKeyYLZKDXQYVAKNNL-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-2,2-dimethyl-3H-inden-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 5-fluoro-2,2-dimethyl-3H-inden-1-one?
The IUPAC name of 5-fluoro-2,2-dimethyl-3H-inden-1-one (CID 55265304) is 5-fluoro-2,2-dimethyl-3H-inden-1-one.
What is the SMILES notation for 5-fluoro-2,2-dimethyl-3H-inden-1-one?
The canonical SMILES for 5-fluoro-2,2-dimethyl-3H-inden-1-one is CC1(C)Cc2cc(F)ccc2C1=O.
What is the InChIKey of 5-fluoro-2,2-dimethyl-3H-inden-1-one?
The InChIKey is YLZKDXQYVAKNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO/c1-11(2)6-7-5-8(12)3-4-9(7)10(11)13/h3-5H,6H2,1-2H3.
What are the key properties of 5-fluoro-2,2-dimethyl-3H-inden-1-one?
5-fluoro-2,2-dimethyl-3H-inden-1-one has a molecular weight of 178.21 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,2-dimethyl-3H-inden-1-one is sourced from PubChem (CID 55265304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).