1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene

C7H2BrF4I — CID 166444030

IUPAC1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene
SMILESFc1c(F)c(F)c(CBr)c(I)c1F
InChIInChI=1S/C7H2BrF4I/c8-1-2-3(9)4(10)5(11)6(12)7(2)13/h1H2
InChIKeyGIBIRTMAKWXSOT-UHFFFAOYSA-N
MW368.89 g/mol
LogP3.74
Rot. Bonds1

About 1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene

1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene (PubChem CID 166444030) has the molecular formula C7H2BrF4I and a molecular weight of 368.89 g/mol. Its IUPAC name is 1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene
PubChem CID166444030
Molecular FormulaC7H2BrF4I
Molecular Weight368.89 g/mol
Exact Mass367.83
IUPAC Name1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene
SMILESFc1c(F)c(F)c(CBr)c(I)c1F
InChIInChI=1S/C7H2BrF4I/c8-1-2-3(9)4(10)5(11)6(12)7(2)13/h1H2
InChIKeyGIBIRTMAKWXSOT-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.74
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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene?
The IUPAC name of 1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene (CID 166444030) is 1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene.
What is the SMILES notation for 1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene?
The canonical SMILES for 1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene is Fc1c(F)c(F)c(CBr)c(I)c1F.
What is the InChIKey of 1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene?
The InChIKey is GIBIRTMAKWXSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF4I/c8-1-2-3(9)4(10)5(11)6(12)7(2)13/h1H2.
What are the key properties of 1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene?
1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene has a molecular weight of 368.89 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene is sourced from PubChem (CID 166444030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).