1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene

C8H6BrF2I — CID 171033406

IUPAC1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene
SMILESCc1cc(I)c(C(F)F)cc1Br
InChIInChI=1S/C8H6BrF2I/c1-4-2-7(12)5(8(10)11)3-6(4)9/h2-3,8H,1H3
InChIKeyUZLGWVHNAJDGLG-UHFFFAOYSA-N
MW346.94 g/mol
LogP4.30
Rot. Bonds1

About 1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene

1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene (PubChem CID 171033406) has the molecular formula C8H6BrF2I and a molecular weight of 346.94 g/mol. Its IUPAC name is 1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene
PubChem CID171033406
Molecular FormulaC8H6BrF2I
Molecular Weight346.94 g/mol
Exact Mass345.87
IUPAC Name1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene
SMILESCc1cc(I)c(C(F)F)cc1Br
InChIInChI=1S/C8H6BrF2I/c1-4-2-7(12)5(8(10)11)3-6(4)9/h2-3,8H,1H3
InChIKeyUZLGWVHNAJDGLG-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.94
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-bromo-4-(difluoromethyl)-5-iodophenyl]ethanone
CID 131547407
1-[4-bromo-2-(difluoromethyl)-5-methylphenyl]ethanone
CID 131328103
1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene
CID 70806772
1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene
CID 171033090
2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine
CID 118997432
2-bromo-5-(difluoromethyl)-1-iodo-3-methylbenzene
CID 171033403
CID 174002528
CID 174002528
8-bromo-6-(difluoromethyl)-5-fluoro-4-methylisoquinoline
CID 155399411
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181
1-(5-bromo-2-iodo-4-methylphenyl)ethanone
CID 131429614
5-bromo-3-(difluoromethyl)-6-methylpyridin-2-amine
CID 130101784
1,4-dibromo-2-(1-chloro-2,2,2-trifluoroethyl)-5-methylbenzene
CID 81473344

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene?
The IUPAC name of 1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene (CID 171033406) is 1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene.
What is the SMILES notation for 1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene?
The canonical SMILES for 1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene is Cc1cc(I)c(C(F)F)cc1Br.
What is the InChIKey of 1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene?
The InChIKey is UZLGWVHNAJDGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2I/c1-4-2-7(12)5(8(10)11)3-6(4)9/h2-3,8H,1H3.
What are the key properties of 1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene?
1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene has a molecular weight of 346.94 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene is sourced from PubChem (CID 171033406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).