1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene

C7H4BrClFI — CID 131331859

IUPAC1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene
SMILESFc1cc(Br)c(CCl)cc1I
InChIInChI=1S/C7H4BrClFI/c8-5-2-6(10)7(11)1-4(5)3-9/h1-2H,3H2
InChIKeyXYQAMVKDOOLWRC-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.93
Rot. Bonds1

About 1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene

1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene (PubChem CID 131331859) has the molecular formula C7H4BrClFI and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene.

Molecular Properties

Compound Name1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene
PubChem CID131331859
Molecular FormulaC7H4BrClFI
Molecular Weight349.37 g/mol
Exact Mass347.82
IUPAC Name1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene
SMILESFc1cc(Br)c(CCl)cc1I
InChIInChI=1S/C7H4BrClFI/c8-5-2-6(10)7(11)1-4(5)3-9/h1-2H,3H2
InChIKeyXYQAMVKDOOLWRC-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.93
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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Related Compounds

(2-bromo-4-fluoro-5-iodophenyl)methanamine
CID 171018227
1-(chloromethyl)-5-fluoro-2,4-diiodobenzene
CID 131118250
1-bromo-4-(chloromethyl)-2-iodo-5-methylbenzene
CID 131262421
2-bromo-4-fluoro-5-iodobenzenesulfonyl chloride
CID 171001525
1-bromo-5-(chloromethyl)-2-fluoro-3-iodobenzene
CID 131331850
1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene
CID 130090932
1-bromo-4-chloro-5-fluoro-2-iodobenzene
CID 50999479
1-(bromomethyl)-2,5-difluoro-4-iodobenzene
CID 131263553
1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171033218
2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene
CID 130766572
1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene
CID 130877169
N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine
CID 130626920

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene?
The IUPAC name of 1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene (CID 131331859) is 1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene.
What is the SMILES notation for 1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene?
The canonical SMILES for 1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene is Fc1cc(Br)c(CCl)cc1I.
What is the InChIKey of 1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene?
The InChIKey is XYQAMVKDOOLWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClFI/c8-5-2-6(10)7(11)1-4(5)3-9/h1-2H,3H2.
What are the key properties of 1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene?
1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene has a molecular weight of 349.37 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene is sourced from PubChem (CID 131331859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).