2-(bromomethyl)-4-fluoro-1-iodobenzene

C7H5BrFI — CID 75412008

IUPAC2-(bromomethyl)-4-fluoro-1-iodobenzene
SMILESFc1ccc(I)c(CBr)c1
InChIInChI=1S/C7H5BrFI/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKeyTXIPYRUYDCNASH-UHFFFAOYSA-N
MW314.92 g/mol
LogP3.33
Rot. Bonds1

About 2-(bromomethyl)-4-fluoro-1-iodobenzene

2-(bromomethyl)-4-fluoro-1-iodobenzene (PubChem CID 75412008) has the molecular formula C7H5BrFI and a molecular weight of 314.92 g/mol. Its IUPAC name is 2-(bromomethyl)-4-fluoro-1-iodobenzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-fluoro-1-iodobenzene
PubChem CID75412008
Molecular FormulaC7H5BrFI
Molecular Weight314.92 g/mol
Exact Mass313.86
IUPAC Name2-(bromomethyl)-4-fluoro-1-iodobenzene
SMILESFc1ccc(I)c(CBr)c1
InChIInChI=1S/C7H5BrFI/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKeyTXIPYRUYDCNASH-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.92
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-iodo-2-propylbenzene
CID 126738396
CID 171836112
CID 171836112
O-[(5-fluoro-2-iodophenyl)methyl]hydroxylamine
CID 130051922
2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene
CID 131332707
2-(3-chloropropyl)-4-fluoro-1-iodobenzene
CID 118801951
1-(5-fluoro-2-iodophenyl)propan-2-one
CID 118852730
2-(bromomethyl)-4-fluorobenzaldehyde
CID 98041715
2-bromo-1-(bromomethyl)-3-fluoro-4-iodobenzene
CID 98041507
2-(bromomethyl)-4-fluorobenzonitrile;ethane
CID 144867775
2-(bromomethyl)-4-fluoro-1-phenylbenzene
CID 59789301
2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene
CID 141469251
1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene
CID 160827893

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-fluoro-1-iodobenzene?
The IUPAC name of 2-(bromomethyl)-4-fluoro-1-iodobenzene (CID 75412008) is 2-(bromomethyl)-4-fluoro-1-iodobenzene.
What is the SMILES notation for 2-(bromomethyl)-4-fluoro-1-iodobenzene?
The canonical SMILES for 2-(bromomethyl)-4-fluoro-1-iodobenzene is Fc1ccc(I)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4-fluoro-1-iodobenzene?
The InChIKey is TXIPYRUYDCNASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFI/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2.
What are the key properties of 2-(bromomethyl)-4-fluoro-1-iodobenzene?
2-(bromomethyl)-4-fluoro-1-iodobenzene has a molecular weight of 314.92 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-fluoro-1-iodobenzene is sourced from PubChem (CID 75412008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).