2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene

C7H3Br2F2IO — CID 118819083

IUPAC2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene
SMILESFC(F)Oc1ccc(I)c(Br)c1Br
InChIInChI=1S/C7H3Br2F2IO/c8-5-3(12)1-2-4(6(5)9)13-7(10)11/h1-2,7H
InChIKeyFAJQJECMUBWMBJ-UHFFFAOYSA-N
MW427.81 g/mol
LogP4.42
Rot. Bonds2

About 2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene

2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene (PubChem CID 118819083) has the molecular formula C7H3Br2F2IO and a molecular weight of 427.81 g/mol. Its IUPAC name is 2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene.

Molecular Properties

Compound Name2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene
PubChem CID118819083
Molecular FormulaC7H3Br2F2IO
Molecular Weight427.81 g/mol
Exact Mass425.76
IUPAC Name2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene
SMILESFC(F)Oc1ccc(I)c(Br)c1Br
InChIInChI=1S/C7H3Br2F2IO/c8-5-3(12)1-2-4(6(5)9)13-7(10)11/h1-2,7H
InChIKeyFAJQJECMUBWMBJ-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.81
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene
CID 134638325
1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119024321
1-(difluoromethoxy)-2-iodo-4-methylbenzene
CID 118823118
1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene
CID 118820826
5-bromo-4-(difluoromethoxy)-2-iodoaniline
CID 131323570
1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene
CID 118836171
1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 118837715
1-[3-bromo-4-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 171000586
2-bromo-3-(difluoromethoxy)benzonitrile
CID 118996349
[2-bromo-3-(difluoromethoxy)phenyl]hydrazine
CID 118818799
1-[6-bromo-3-(difluoromethoxy)-2-iodophenyl]ethanone
CID 131597792
1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone
CID 131586322

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene?
The IUPAC name of 2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene (CID 118819083) is 2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene.
What is the SMILES notation for 2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene?
The canonical SMILES for 2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene is FC(F)Oc1ccc(I)c(Br)c1Br.
What is the InChIKey of 2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene?
The InChIKey is FAJQJECMUBWMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2F2IO/c8-5-3(12)1-2-4(6(5)9)13-7(10)11/h1-2,7H.
What are the key properties of 2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene?
2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene has a molecular weight of 427.81 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene is sourced from PubChem (CID 118819083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).