2-bromo-5-fluoro-2,3-dihydro-1H-indene

C9H8BrF — CID 130115402

IUPAC2-bromo-5-fluoro-2,3-dihydro-1H-indene
SMILESFc1ccc2c(c1)CC(Br)C2
InChIInChI=1S/C9H8BrF/c10-8-3-6-1-2-9(11)5-7(6)4-8/h1-2,5,8H,3-4H2
InChIKeyNUNJHSAQPTZNLJ-UHFFFAOYSA-N
MW215.06 g/mol
LogP2.69
Rot. Bonds

About 2-bromo-5-fluoro-2,3-dihydro-1H-indene

2-bromo-5-fluoro-2,3-dihydro-1H-indene (PubChem CID 130115402) has the molecular formula C9H8BrF and a molecular weight of 215.06 g/mol. Its IUPAC name is 2-bromo-5-fluoro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-bromo-5-fluoro-2,3-dihydro-1H-indene
PubChem CID130115402
Molecular FormulaC9H8BrF
Molecular Weight215.06 g/mol
Exact Mass213.98
IUPAC Name2-bromo-5-fluoro-2,3-dihydro-1H-indene
SMILESFc1ccc2c(c1)CC(Br)C2
InChIInChI=1S/C9H8BrF/c10-8-3-6-1-2-9(11)5-7(6)4-8/h1-2,5,8H,3-4H2
InChIKeyNUNJHSAQPTZNLJ-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334375
(2S)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334377
1-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 105438205
2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 82401388
2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal
CID 105458982
2-bromo-6-fluoro-2,3-dihydroinden-1-one
CID 11031642
ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 172615392
(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one
CID 86313607
[(3S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl] formate;hydrochloride
CID 175250300
(4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole
CID 135449013
(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride
CID 162342276
N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 107632769

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-2,3-dihydro-1H-indene?
The IUPAC name of 2-bromo-5-fluoro-2,3-dihydro-1H-indene (CID 130115402) is 2-bromo-5-fluoro-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-bromo-5-fluoro-2,3-dihydro-1H-indene?
The canonical SMILES for 2-bromo-5-fluoro-2,3-dihydro-1H-indene is Fc1ccc2c(c1)CC(Br)C2.
What is the InChIKey of 2-bromo-5-fluoro-2,3-dihydro-1H-indene?
The InChIKey is NUNJHSAQPTZNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF/c10-8-3-6-1-2-9(11)5-7(6)4-8/h1-2,5,8H,3-4H2.
What are the key properties of 2-bromo-5-fluoro-2,3-dihydro-1H-indene?
2-bromo-5-fluoro-2,3-dihydro-1H-indene has a molecular weight of 215.06 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-2,3-dihydro-1H-indene is sourced from PubChem (CID 130115402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).