4-bromo-1-(bromomethyl)-2-fluorobenzene

C7H5Br2F — CID 2733660

IUPAC4-bromo-1-(bromomethyl)-2-fluorobenzene
SMILESFc1cc(Br)ccc1CBr
InChIInChI=1S/C7H5Br2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKeyXMHNLZXYPAULDF-UHFFFAOYSA-N
MW267.92 g/mol
LogP3.48
Rot. Bonds1

About 4-bromo-1-(bromomethyl)-2-fluorobenzene

4-bromo-1-(bromomethyl)-2-fluorobenzene (PubChem CID 2733660) has the molecular formula C7H5Br2F and a molecular weight of 267.92 g/mol. Its IUPAC name is 4-bromo-1-(bromomethyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-(bromomethyl)-2-fluorobenzene
PubChem CID2733660
Molecular FormulaC7H5Br2F
Molecular Weight267.92 g/mol
Exact Mass265.87
IUPAC Name4-bromo-1-(bromomethyl)-2-fluorobenzene
SMILESFc1cc(Br)ccc1CBr
InChIInChI=1S/C7H5Br2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKeyXMHNLZXYPAULDF-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.92
LogP ≤ 53.48
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 4-bromo-1-(bromomethyl)-2-fluorobenzene?
The IUPAC name of 4-bromo-1-(bromomethyl)-2-fluorobenzene (CID 2733660) is 4-bromo-1-(bromomethyl)-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-(bromomethyl)-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-(bromomethyl)-2-fluorobenzene is Fc1cc(Br)ccc1CBr.
What is the InChIKey of 4-bromo-1-(bromomethyl)-2-fluorobenzene?
The InChIKey is XMHNLZXYPAULDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2.
What are the key properties of 4-bromo-1-(bromomethyl)-2-fluorobenzene?
4-bromo-1-(bromomethyl)-2-fluorobenzene has a molecular weight of 267.92 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(bromomethyl)-2-fluorobenzene is sourced from PubChem (CID 2733660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).