7-fluoro-3-phenyl-2,3-dihydroinden-1-one

C15H11FO — CID 3717938

IUPAC7-fluoro-3-phenyl-2,3-dihydroinden-1-one
SMILESO=C1CC(c2ccccc2)c2cccc(F)c21
InChIInChI=1S/C15H11FO/c16-13-8-4-7-11-12(9-14(17)15(11)13)10-5-2-1-3-6-10/h1-8,12H,9H2
InChIKeyTUQUCVQMVSSGPM-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.54
Rot. Bonds1

About 7-fluoro-3-phenyl-2,3-dihydroinden-1-one

7-fluoro-3-phenyl-2,3-dihydroinden-1-one (PubChem CID 3717938) has the molecular formula C15H11FO and a molecular weight of 226.25 g/mol. Its IUPAC name is 7-fluoro-3-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-fluoro-3-phenyl-2,3-dihydroinden-1-one
PubChem CID3717938
Molecular FormulaC15H11FO
Molecular Weight226.25 g/mol
Exact Mass226.08
IUPAC Name7-fluoro-3-phenyl-2,3-dihydroinden-1-one
SMILESO=C1CC(c2ccccc2)c2cccc(F)c21
InChIInChI=1S/C15H11FO/c16-13-8-4-7-11-12(9-14(17)15(11)13)10-5-2-1-3-6-10/h1-8,12H,9H2
InChIKeyTUQUCVQMVSSGPM-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-fluoro-3-phenyl-2,3-dihydroinden-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 7-fluoro-3-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of 7-fluoro-3-phenyl-2,3-dihydroinden-1-one (CID 3717938) is 7-fluoro-3-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-fluoro-3-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for 7-fluoro-3-phenyl-2,3-dihydroinden-1-one is O=C1CC(c2ccccc2)c2cccc(F)c21.
What is the InChIKey of 7-fluoro-3-phenyl-2,3-dihydroinden-1-one?
The InChIKey is TUQUCVQMVSSGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO/c16-13-8-4-7-11-12(9-14(17)15(11)13)10-5-2-1-3-6-10/h1-8,12H,9H2.
What are the key properties of 7-fluoro-3-phenyl-2,3-dihydroinden-1-one?
7-fluoro-3-phenyl-2,3-dihydroinden-1-one has a molecular weight of 226.25 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 3717938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).