1-(bromomethyl)-2,5-difluoro-4-iodobenzene

C7H4BrF2I — CID 131263553

IUPAC1-(bromomethyl)-2,5-difluoro-4-iodobenzene
SMILESFc1cc(CBr)c(F)cc1I
InChIInChI=1S/C7H4BrF2I/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2
InChIKeyNXZKBDDSUKELSX-UHFFFAOYSA-N
MW332.91 g/mol
LogP3.46
Rot. Bonds1

About 1-(bromomethyl)-2,5-difluoro-4-iodobenzene

1-(bromomethyl)-2,5-difluoro-4-iodobenzene (PubChem CID 131263553) has the molecular formula C7H4BrF2I and a molecular weight of 332.91 g/mol. Its IUPAC name is 1-(bromomethyl)-2,5-difluoro-4-iodobenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2,5-difluoro-4-iodobenzene
PubChem CID131263553
Molecular FormulaC7H4BrF2I
Molecular Weight332.91 g/mol
Exact Mass331.85
IUPAC Name1-(bromomethyl)-2,5-difluoro-4-iodobenzene
SMILESFc1cc(CBr)c(F)cc1I
InChIInChI=1S/C7H4BrF2I/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2
InChIKeyNXZKBDDSUKELSX-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.91
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,5-difluoro-4-iodobenzene?
The IUPAC name of 1-(bromomethyl)-2,5-difluoro-4-iodobenzene (CID 131263553) is 1-(bromomethyl)-2,5-difluoro-4-iodobenzene.
What is the SMILES notation for 1-(bromomethyl)-2,5-difluoro-4-iodobenzene?
The canonical SMILES for 1-(bromomethyl)-2,5-difluoro-4-iodobenzene is Fc1cc(CBr)c(F)cc1I.
What is the InChIKey of 1-(bromomethyl)-2,5-difluoro-4-iodobenzene?
The InChIKey is NXZKBDDSUKELSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2I/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2.
What are the key properties of 1-(bromomethyl)-2,5-difluoro-4-iodobenzene?
1-(bromomethyl)-2,5-difluoro-4-iodobenzene has a molecular weight of 332.91 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,5-difluoro-4-iodobenzene is sourced from PubChem (CID 131263553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).