1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene

C6Br2Cl2FI — CID 635049

IUPAC1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene
SMILESFc1c(Cl)c(Br)c(I)c(Br)c1Cl
InChIInChI=1S/C6Br2Cl2FI/c7-1-3(9)5(11)4(10)2(8)6(1)12
InChIKeyPTBWOPPWWXNXPZ-UHFFFAOYSA-N
MW448.68 g/mol
LogP5.26
Rot. Bonds

About 1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene

1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene (PubChem CID 635049) has the molecular formula C6Br2Cl2FI and a molecular weight of 448.68 g/mol. Its IUPAC name is 1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene.

Molecular Properties

Compound Name1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene
PubChem CID635049
Molecular FormulaC6Br2Cl2FI
Molecular Weight448.68 g/mol
Exact Mass445.68
IUPAC Name1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene
SMILESFc1c(Cl)c(Br)c(I)c(Br)c1Cl
InChIInChI=1S/C6Br2Cl2FI/c7-1-3(9)5(11)4(10)2(8)6(1)12
InChIKeyPTBWOPPWWXNXPZ-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.68
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

1,3,5-Tribromo-2,4,6-trichlorobenzene
CID 22311457
1-Fluoro-3-bromo-4-iodo-2,5,6-trichlorobenzene
CID 581714
3,5-Difluoro-2,4,6-trichlorobromobenzene
CID 23431777
1-Bromo-2,6-dichloro-3,4,5-trifluorobenzene
CID 130699975
3,5-Dibromo-2,6-dichlorofluorobenzene
CID 10969348
1,3-Dibromo-2,4-dichloro-5-fluorobenzene
CID 44891205
2-Bromo-3,5-dichloro-4-fluoroiodobenzene
CID 50997804
2,4-Dibromo-3,5-dichlorofluorobenzene
CID 50997826
3-Chloro-2,6-dibromo-4-fluoroiodobenzene
CID 50997847
1-Bromo-2,4-dichloro-3,5,6-trifluorobenzene
CID 118836073
1,2,3-Tribromo-4,6-dichloro-5-fluorobenzene
CID 169337134
1,5-Dibromo-2-chloro-3-fluoro-4-iodobenZene
CID 171367774

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene?
The IUPAC name of 1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene (CID 635049) is 1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene.
What is the SMILES notation for 1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene?
The canonical SMILES for 1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene is Fc1c(Cl)c(Br)c(I)c(Br)c1Cl.
What is the InChIKey of 1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene?
The InChIKey is PTBWOPPWWXNXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br2Cl2FI/c7-1-3(9)5(11)4(10)2(8)6(1)12.
What are the key properties of 1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene?
1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene has a molecular weight of 448.68 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,4-dichloro-3-fluoro-6-iodobenzene is sourced from PubChem (CID 635049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).