7-bromo-2-fluoro-2-iodo-3H-inden-1-one

C9H5BrFIO — CID 175574070

IUPAC7-bromo-2-fluoro-2-iodo-3H-inden-1-one
SMILESO=C1c2c(Br)cccc2CC1(F)I
InChIInChI=1S/C9H5BrFIO/c10-6-3-1-2-5-4-9(11,12)8(13)7(5)6/h1-3H,4H2
InChIKeyVDNRDHQRODZBQE-UHFFFAOYSA-N
MW354.94 g/mol
LogP3.29
Rot. Bonds

About 7-bromo-2-fluoro-2-iodo-3H-inden-1-one

7-bromo-2-fluoro-2-iodo-3H-inden-1-one (PubChem CID 175574070) has the molecular formula C9H5BrFIO and a molecular weight of 354.94 g/mol. Its IUPAC name is 7-bromo-2-fluoro-2-iodo-3H-inden-1-one.

Molecular Properties

Compound Name7-bromo-2-fluoro-2-iodo-3H-inden-1-one
PubChem CID175574070
Molecular FormulaC9H5BrFIO
Molecular Weight354.94 g/mol
Exact Mass353.86
IUPAC Name7-bromo-2-fluoro-2-iodo-3H-inden-1-one
SMILESO=C1c2c(Br)cccc2CC1(F)I
InChIInChI=1S/C9H5BrFIO/c10-6-3-1-2-5-4-9(11,12)8(13)7(5)6/h1-3H,4H2
InChIKeyVDNRDHQRODZBQE-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.94
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-bromo-2-fluoro-2-iodo-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

Related Compounds

tert-butyl 4-bromo-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 155401145
5-bromo-2,3-dihydro-1H-isoquinolin-4-one
CID 121293887
8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline
CID 84728816
4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
CID 21433537
8-bromo-4H-isochromene-1,3-dione
CID 23597432
8-bromo-3,3,4,4-tetramethyl-2H-naphthalen-1-one
CID 168848283
7-bromo-3H-indene-1-carboxylic acid
CID 148787527
5-bromo-7-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 167736870
4-bromo-3,3-difluoro-1H-indol-2-one
CID 66815517
7-bromo-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one
CID 172876131
8-bromo-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 133054201
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-fluoro-2-iodo-3H-inden-1-one?
The IUPAC name of 7-bromo-2-fluoro-2-iodo-3H-inden-1-one (CID 175574070) is 7-bromo-2-fluoro-2-iodo-3H-inden-1-one.
What is the SMILES notation for 7-bromo-2-fluoro-2-iodo-3H-inden-1-one?
The canonical SMILES for 7-bromo-2-fluoro-2-iodo-3H-inden-1-one is O=C1c2c(Br)cccc2CC1(F)I.
What is the InChIKey of 7-bromo-2-fluoro-2-iodo-3H-inden-1-one?
The InChIKey is VDNRDHQRODZBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFIO/c10-6-3-1-2-5-4-9(11,12)8(13)7(5)6/h1-3H,4H2.
What are the key properties of 7-bromo-2-fluoro-2-iodo-3H-inden-1-one?
7-bromo-2-fluoro-2-iodo-3H-inden-1-one has a molecular weight of 354.94 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-fluoro-2-iodo-3H-inden-1-one is sourced from PubChem (CID 175574070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).