2-fluoro-2-(2-methylpropyl)-3H-inden-1-one

C13H15FO — CID 59717541

IUPAC2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
SMILESCC(C)CC1(F)Cc2ccccc2C1=O
InChIInChI=1S/C13H15FO/c1-9(2)7-13(14)8-10-5-3-4-6-11(10)12(13)15/h3-6,9H,7-8H2,1-2H3
InChIKeyNWZCIXNHXLZPNC-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.18
Rot. Bonds2

About 2-fluoro-2-(2-methylpropyl)-3H-inden-1-one

2-fluoro-2-(2-methylpropyl)-3H-inden-1-one (PubChem CID 59717541) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-fluoro-2-(2-methylpropyl)-3H-inden-1-one.

Molecular Properties

Compound Name2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
PubChem CID59717541
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
SMILESCC(C)CC1(F)Cc2ccccc2C1=O
InChIInChI=1S/C13H15FO/c1-9(2)7-13(14)8-10-5-3-4-6-11(10)12(13)15/h3-6,9H,7-8H2,1-2H3
InChIKeyNWZCIXNHXLZPNC-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-2-(2-methylpropyl)-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 2-fluoro-2-(2-methylpropyl)-3H-inden-1-one?
The IUPAC name of 2-fluoro-2-(2-methylpropyl)-3H-inden-1-one (CID 59717541) is 2-fluoro-2-(2-methylpropyl)-3H-inden-1-one.
What is the SMILES notation for 2-fluoro-2-(2-methylpropyl)-3H-inden-1-one?
The canonical SMILES for 2-fluoro-2-(2-methylpropyl)-3H-inden-1-one is CC(C)CC1(F)Cc2ccccc2C1=O.
What is the InChIKey of 2-fluoro-2-(2-methylpropyl)-3H-inden-1-one?
The InChIKey is NWZCIXNHXLZPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-9(2)7-13(14)8-10-5-3-4-6-11(10)12(13)15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-fluoro-2-(2-methylpropyl)-3H-inden-1-one?
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one has a molecular weight of 206.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-methylpropyl)-3H-inden-1-one is sourced from PubChem (CID 59717541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).