1-bromo-6-fluoro-2,3-dihydro-1H-indene

C9H8BrF — CID 61384892

IUPAC1-bromo-6-fluoro-2,3-dihydro-1H-indene
SMILESFc1ccc2c(c1)C(Br)CC2
InChIInChI=1S/C9H8BrF/c10-9-4-2-6-1-3-7(11)5-8(6)9/h1,3,5,9H,2,4H2
InChIKeyFXUWRVDNJUZFRM-UHFFFAOYSA-N
MW215.06 g/mol
LogP3.21
Rot. Bonds

About 1-bromo-6-fluoro-2,3-dihydro-1H-indene

1-bromo-6-fluoro-2,3-dihydro-1H-indene (PubChem CID 61384892) has the molecular formula C9H8BrF and a molecular weight of 215.06 g/mol. Its IUPAC name is 1-bromo-6-fluoro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-bromo-6-fluoro-2,3-dihydro-1H-indene
PubChem CID61384892
Molecular FormulaC9H8BrF
Molecular Weight215.06 g/mol
Exact Mass213.98
IUPAC Name1-bromo-6-fluoro-2,3-dihydro-1H-indene
SMILESFc1ccc2c(c1)C(Br)CC2
InChIInChI=1S/C9H8BrF/c10-9-4-2-6-1-3-7(11)5-8(6)9/h1,3,5,9H,2,4H2
InChIKeyFXUWRVDNJUZFRM-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-fluoro-2,3-dihydro-1H-indene?
The IUPAC name of 1-bromo-6-fluoro-2,3-dihydro-1H-indene (CID 61384892) is 1-bromo-6-fluoro-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-bromo-6-fluoro-2,3-dihydro-1H-indene?
The canonical SMILES for 1-bromo-6-fluoro-2,3-dihydro-1H-indene is Fc1ccc2c(c1)C(Br)CC2.
What is the InChIKey of 1-bromo-6-fluoro-2,3-dihydro-1H-indene?
The InChIKey is FXUWRVDNJUZFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF/c10-9-4-2-6-1-3-7(11)5-8(6)9/h1,3,5,9H,2,4H2.
What are the key properties of 1-bromo-6-fluoro-2,3-dihydro-1H-indene?
1-bromo-6-fluoro-2,3-dihydro-1H-indene has a molecular weight of 215.06 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-fluoro-2,3-dihydro-1H-indene is sourced from PubChem (CID 61384892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).