5-bromo-4-fluoro-2,3-dihydro-1H-indene

C9H8BrF — CID 126560536

IUPAC5-bromo-4-fluoro-2,3-dihydro-1H-indene
SMILESFc1c(Br)ccc2c1CCC2
InChIInChI=1S/C9H8BrF/c10-8-5-4-6-2-1-3-7(6)9(8)11/h4-5H,1-3H2
InChIKeyJMXAUGGYHVFQBH-UHFFFAOYSA-N
MW215.06 g/mol
LogP3.08
Rot. Bonds

About 5-bromo-4-fluoro-2,3-dihydro-1H-indene

5-bromo-4-fluoro-2,3-dihydro-1H-indene (PubChem CID 126560536) has the molecular formula C9H8BrF and a molecular weight of 215.06 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-bromo-4-fluoro-2,3-dihydro-1H-indene
PubChem CID126560536
Molecular FormulaC9H8BrF
Molecular Weight215.06 g/mol
Exact Mass213.98
IUPAC Name5-bromo-4-fluoro-2,3-dihydro-1H-indene
SMILESFc1c(Br)ccc2c1CCC2
InChIInChI=1S/C9H8BrF/c10-8-5-4-6-2-1-3-7(6)9(8)11/h4-5H,1-3H2
InChIKeyJMXAUGGYHVFQBH-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2,3-dihydro-1H-indene?
The IUPAC name of 5-bromo-4-fluoro-2,3-dihydro-1H-indene (CID 126560536) is 5-bromo-4-fluoro-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-bromo-4-fluoro-2,3-dihydro-1H-indene?
The canonical SMILES for 5-bromo-4-fluoro-2,3-dihydro-1H-indene is Fc1c(Br)ccc2c1CCC2.
What is the InChIKey of 5-bromo-4-fluoro-2,3-dihydro-1H-indene?
The InChIKey is JMXAUGGYHVFQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF/c10-8-5-4-6-2-1-3-7(6)9(8)11/h4-5H,1-3H2.
What are the key properties of 5-bromo-4-fluoro-2,3-dihydro-1H-indene?
5-bromo-4-fluoro-2,3-dihydro-1H-indene has a molecular weight of 215.06 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2,3-dihydro-1H-indene is sourced from PubChem (CID 126560536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).