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

Name: 1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₂BrF₄I — CID 166444030

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene
PubChem CID	166444030
Molecular Formula	C₇H₂BrF₄I
Molecular Weight	368.89 g/mol
Exact Mass	367.83
IUPAC Name	1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene
SMILES	Fc1c(F)c(F)c(CBr)c(I)c1F
InChI	InChI=1S/C7H2BrF4I/c8-1-2-3(9)4(10)5(11)6(12)7(2)13/h1H2
InChIKey	GIBIRTMAKWXSOT-UHFFFAOYSA-N
XLogP	3.74
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	1
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.89
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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'}

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 166444030 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.