2-(bromomethyl)-1,3-difluoro-5-iodobenzene

C7H4BrF2I — CID 131263559

IUPAC2-(bromomethyl)-1,3-difluoro-5-iodobenzene
SMILESFc1cc(I)cc(F)c1CBr
InChIInChI=1S/C7H4BrF2I/c8-3-5-6(9)1-4(11)2-7(5)10/h1-2H,3H2
InChIKeyHTZXDWWZDDAXCI-UHFFFAOYSA-N
MW332.91 g/mol
LogP3.46
Rot. Bonds1

About 2-(bromomethyl)-1,3-difluoro-5-iodobenzene

2-(bromomethyl)-1,3-difluoro-5-iodobenzene (PubChem CID 131263559) has the molecular formula C7H4BrF2I and a molecular weight of 332.91 g/mol. Its IUPAC name is 2-(bromomethyl)-1,3-difluoro-5-iodobenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1,3-difluoro-5-iodobenzene
PubChem CID131263559
Molecular FormulaC7H4BrF2I
Molecular Weight332.91 g/mol
Exact Mass331.85
IUPAC Name2-(bromomethyl)-1,3-difluoro-5-iodobenzene
SMILESFc1cc(I)cc(F)c1CBr
InChIInChI=1S/C7H4BrF2I/c8-3-5-6(9)1-4(11)2-7(5)10/h1-2H,3H2
InChIKeyHTZXDWWZDDAXCI-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,3-dibromo-2-(bromomethyl)-5-iodobenzene
CID 69164678
1-chloro-2-(chloromethyl)-3-fluoro-5-iodobenzene
CID 171003995
2-(bromomethyl)-1,3-difluoro-5-propylbenzene
CID 142578213
2-(bromomethyl)-3-fluoro-5-iodopyridine
CID 131051007
2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone
CID 131349738
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene
CID 166444030
2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene
CID 12994966
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
5-bromo-2-(bromomethyl)-1,3-difluorobenzene;2-(4-bromo-2,6-difluorophenyl)acetonitrile
CID 160735694
[2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine
CID 171010565

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,3-difluoro-5-iodobenzene?
The IUPAC name of 2-(bromomethyl)-1,3-difluoro-5-iodobenzene (CID 131263559) is 2-(bromomethyl)-1,3-difluoro-5-iodobenzene.
What is the SMILES notation for 2-(bromomethyl)-1,3-difluoro-5-iodobenzene?
The canonical SMILES for 2-(bromomethyl)-1,3-difluoro-5-iodobenzene is Fc1cc(I)cc(F)c1CBr.
What is the InChIKey of 2-(bromomethyl)-1,3-difluoro-5-iodobenzene?
The InChIKey is HTZXDWWZDDAXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2I/c8-3-5-6(9)1-4(11)2-7(5)10/h1-2H,3H2.
What are the key properties of 2-(bromomethyl)-1,3-difluoro-5-iodobenzene?
2-(bromomethyl)-1,3-difluoro-5-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 2-(bromomethyl)-1,3-difluoro-5-iodobenzene is sourced from PubChem (CID 131263559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).