1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene

C13H16BrF — CID 116532446

IUPAC1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene
SMILESCC(C)C(Br)C1CCc2cc(F)ccc21
InChIInChI=1S/C13H16BrF/c1-8(2)13(14)12-5-3-9-7-10(15)4-6-11(9)12/h4,6-8,12-13H,3,5H2,1-2H3
InChIKeyXIENBMWGBYJKPY-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.28
Rot. Bonds2

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

1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene (PubChem CID 116532446) has the molecular formula C13H16BrF and a molecular weight of 271.17 g/mol. Its IUPAC name is 1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene
PubChem CID116532446
Molecular FormulaC13H16BrF
Molecular Weight271.17 g/mol
Exact Mass270.04
IUPAC Name1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene
SMILESCC(C)C(Br)C1CCc2cc(F)ccc21
InChIInChI=1S/C13H16BrF/c1-8(2)13(14)12-5-3-9-7-10(15)4-6-11(9)12/h4,6-8,12-13H,3,5H2,1-2H3
InChIKeyXIENBMWGBYJKPY-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.28
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

5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
CID 105460928
2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105461963
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 115010803
6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 135177655
2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal
CID 105446067
1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 115708917
6-fluoro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83907576
6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71757709
5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115710200
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol
CID 105461969

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene?
The IUPAC name of 1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene (CID 116532446) is 1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene?
The canonical SMILES for 1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene is CC(C)C(Br)C1CCc2cc(F)ccc21.
What is the InChIKey of 1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene?
The InChIKey is XIENBMWGBYJKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF/c1-8(2)13(14)12-5-3-9-7-10(15)4-6-11(9)12/h4,6-8,12-13H,3,5H2,1-2H3.
What are the key properties of 1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene?
1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene has a molecular weight of 271.17 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene is sourced from PubChem (CID 116532446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).