2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one

C11H7F3O2 — CID 83067355

IUPAC2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one
SMILESO=C1c2cccc(F)c2CC1C(=O)C(F)F
InChIInChI=1S/C11H7F3O2/c12-8-3-1-2-5-6(8)4-7(9(5)15)10(16)11(13)14/h1-3,7,11H,4H2
InChIKeyRCXFTPYFQHFBRJ-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.01
Rot. Bonds2

About 2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one

2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one (PubChem CID 83067355) has the molecular formula C11H7F3O2 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one
PubChem CID83067355
Molecular FormulaC11H7F3O2
Molecular Weight228.17 g/mol
Exact Mass228.04
IUPAC Name2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one
SMILESO=C1c2cccc(F)c2CC1C(=O)C(F)F
InChIInChI=1S/C11H7F3O2/c12-8-3-1-2-5-6(8)4-7(9(5)15)10(16)11(13)14/h1-3,7,11H,4H2
InChIKeyRCXFTPYFQHFBRJ-UHFFFAOYSA-N
XLogP2.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(2,2-difluoroacetyl)-4-fluoro-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

Related Compounds

CID 4760
CID 4760
CID 6732
CID 6732
CID 68942
CID 68942
CID 10241
CID 10241
CID 6733
CID 6733
CID 6735
CID 6735
CID 11815
CID 11815
CID 67589
CID 67589
CID 202148
CID 202148
CID 11593477
CID 11593477
CID 95022
CID 95022
CID 98146
CID 98146

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one?
The IUPAC name of 2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one (CID 83067355) is 2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one is O=C1c2cccc(F)c2CC1C(=O)C(F)F.
What is the InChIKey of 2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one?
The InChIKey is RCXFTPYFQHFBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O2/c12-8-3-1-2-5-6(8)4-7(9(5)15)10(16)11(13)14/h1-3,7,11H,4H2.
What are the key properties of 2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one?
2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one has a molecular weight of 228.17 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one is sourced from PubChem (CID 83067355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).