1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene

C9H7BrClF — CID 142772570

IUPAC1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene
SMILESFC1(Br)CC1c1ccccc1Cl
InChIInChI=1S/C9H7BrClF/c10-9(12)5-7(9)6-3-1-2-4-8(6)11/h1-4,7H,5H2
InChIKeyNKUZUANDLUETRK-UHFFFAOYSA-N
MW249.51 g/mol
LogP3.89
Rot. Bonds1

About 1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene

1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene (PubChem CID 142772570) has the molecular formula C9H7BrClF and a molecular weight of 249.51 g/mol. Its IUPAC name is 1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene.

Molecular Properties

Compound Name1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene
PubChem CID142772570
Molecular FormulaC9H7BrClF
Molecular Weight249.51 g/mol
Exact Mass247.94
IUPAC Name1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene
SMILESFC1(Br)CC1c1ccccc1Cl
InChIInChI=1S/C9H7BrClF/c10-9(12)5-7(9)6-3-1-2-4-8(6)11/h1-4,7H,5H2
InChIKeyNKUZUANDLUETRK-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.51
LogP ≤ 53.89
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-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene?
The IUPAC name of 1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene (CID 142772570) is 1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene.
What is the SMILES notation for 1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene?
The canonical SMILES for 1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene is FC1(Br)CC1c1ccccc1Cl.
What is the InChIKey of 1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene?
The InChIKey is NKUZUANDLUETRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF/c10-9(12)5-7(9)6-3-1-2-4-8(6)11/h1-4,7H,5H2.
What are the key properties of 1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene?
1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene has a molecular weight of 249.51 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene is sourced from PubChem (CID 142772570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).