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

C11H12BrF — CID 177150169

IUPAC2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene
SMILESCCC1c2ccc(F)cc2CC1Br
InChIInChI=1S/C11H12BrF/c1-2-9-10-4-3-8(13)5-7(10)6-11(9)12/h3-5,9,11H,2,6H2,1H3
InChIKeyLUBHCJSJZDPDPY-UHFFFAOYSA-N
MW243.12 g/mol
LogP3.64
Rot. Bonds1

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

2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene (PubChem CID 177150169) has the molecular formula C11H12BrF and a molecular weight of 243.12 g/mol. Its IUPAC name is 2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene
PubChem CID177150169
Molecular FormulaC11H12BrF
Molecular Weight243.12 g/mol
Exact Mass242.01
IUPAC Name2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene
SMILESCCC1c2ccc(F)cc2CC1Br
InChIInChI=1S/C11H12BrF/c1-2-9-10-4-3-8(13)5-7(10)6-11(9)12/h3-5,9,11H,2,6H2,1H3
InChIKeyLUBHCJSJZDPDPY-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 53.64
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-1-ethyl-5-fluoro-2,3-dihydro-1H-indene?
The IUPAC name of 2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene (CID 177150169) is 2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene?
The canonical SMILES for 2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene is CCC1c2ccc(F)cc2CC1Br.
What is the InChIKey of 2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene?
The InChIKey is LUBHCJSJZDPDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF/c1-2-9-10-4-3-8(13)5-7(10)6-11(9)12/h3-5,9,11H,2,6H2,1H3.
What are the key properties of 2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene?
2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene has a molecular weight of 243.12 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethyl-5-fluoro-2,3-dihydro-1H-indene is sourced from PubChem (CID 177150169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).