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

C10H10BrF — CID 177150270

IUPAC2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene
SMILESCC1c2ccc(F)cc2CC1Br
InChIInChI=1S/C10H10BrF/c1-6-9-3-2-8(12)4-7(9)5-10(6)11/h2-4,6,10H,5H2,1H3
InChIKeySQSHRGFZPHBHJG-UHFFFAOYSA-N
MW229.09 g/mol
LogP3.25
Rot. Bonds

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

2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene (PubChem CID 177150270) has the molecular formula C10H10BrF and a molecular weight of 229.09 g/mol. Its IUPAC name is 2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene
PubChem CID177150270
Molecular FormulaC10H10BrF
Molecular Weight229.09 g/mol
Exact Mass227.99
IUPAC Name2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene
SMILESCC1c2ccc(F)cc2CC1Br
InChIInChI=1S/C10H10BrF/c1-6-9-3-2-8(12)4-7(9)5-10(6)11/h2-4,6,10H,5H2,1H3
InChIKeySQSHRGFZPHBHJG-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 53.25
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

9-Bromofluorene
CID 16024
2-bromo-2,3-dihydro-1H-indene
CID 10965463
3-Fluoro-2-methylbenzyl bromide
CID 2779244
1-bromo-2,3-dihydro-1H-indene
CID 10965462
1-(2-bromoethyl)-2,3-dihydro-1H-indene
CID 12322868
1,2-Dibromoindane
CID 575766
2-Fluoro-9-methylfluorene
CID 150430
5-Fluoro-2-methylbenzyl bromide
CID 2774605
1-(Bromomethyl)-4-fluoro-2-methylbenzene
CID 3732707
2-(bromomethyl)-2,3-dihydro-1H-indene
CID 17932129
1-(1-Bromopropan-2-yl)-4-fluorobenzene
CID 22038224
2-(Bromomethyl)-1-fluoro-3-methylbenzene
CID 44717757

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene (CID 177150270) is 2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene is CC1c2ccc(F)cc2CC1Br.
What is the InChIKey of 2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene?
The InChIKey is SQSHRGFZPHBHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF/c1-6-9-3-2-8(12)4-7(9)5-10(6)11/h2-4,6,10H,5H2,1H3.
What are the key properties of 2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene?
2-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene has a molecular weight of 229.09 g/mol, XLogP of 3.25, 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-1-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 177150270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).