1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene

C11H11Br2F — CID 106646659

IUPAC1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene
SMILESFc1c(Br)cccc1C1CCC(Br)C1
InChIInChI=1S/C11H11Br2F/c12-8-5-4-7(6-8)9-2-1-3-10(13)11(9)14/h1-3,7-8H,4-6H2
InChIKeyJIDIUBRXEMQGJZ-UHFFFAOYSA-N
MW322.02 g/mol
LogP4.62
Rot. Bonds1

About 1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene

1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene (PubChem CID 106646659) has the molecular formula C11H11Br2F and a molecular weight of 322.02 g/mol. Its IUPAC name is 1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene
PubChem CID106646659
Molecular FormulaC11H11Br2F
Molecular Weight322.02 g/mol
Exact Mass319.92
IUPAC Name1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene
SMILESFc1c(Br)cccc1C1CCC(Br)C1
InChIInChI=1S/C11H11Br2F/c12-8-5-4-7(6-8)9-2-1-3-10(13)11(9)14/h1-3,7-8H,4-6H2
InChIKeyJIDIUBRXEMQGJZ-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.02
LogP ≤ 54.62
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-3-(3-bromocyclopentyl)-2-fluorobenzene?
The IUPAC name of 1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene (CID 106646659) is 1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene.
What is the SMILES notation for 1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene?
The canonical SMILES for 1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene is Fc1c(Br)cccc1C1CCC(Br)C1.
What is the InChIKey of 1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene?
The InChIKey is JIDIUBRXEMQGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2F/c12-8-5-4-7(6-8)9-2-1-3-10(13)11(9)14/h1-3,7-8H,4-6H2.
What are the key properties of 1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene?
1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene has a molecular weight of 322.02 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene is sourced from PubChem (CID 106646659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).