1,2-dibromo-3-chloro-4,5,6-trifluorobenzene

C6Br2ClF3 — CID 22007939

IUPAC1,2-dibromo-3-chloro-4,5,6-trifluorobenzene
SMILESFc1c(F)c(Cl)c(Br)c(Br)c1F
InChIInChI=1S/C6Br2ClF3/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyIPHGNIPGPDRWNN-UHFFFAOYSA-N
MW324.32 g/mol
LogP4.28
Rot. Bonds

About 1,2-dibromo-3-chloro-4,5,6-trifluorobenzene

1,2-dibromo-3-chloro-4,5,6-trifluorobenzene (PubChem CID 22007939) has the molecular formula C6Br2ClF3 and a molecular weight of 324.32 g/mol. Its IUPAC name is 1,2-dibromo-3-chloro-4,5,6-trifluorobenzene.

Molecular Properties

Compound Name1,2-dibromo-3-chloro-4,5,6-trifluorobenzene
PubChem CID22007939
Molecular FormulaC6Br2ClF3
Molecular Weight324.32 g/mol
Exact Mass321.80
IUPAC Name1,2-dibromo-3-chloro-4,5,6-trifluorobenzene
SMILESFc1c(F)c(Cl)c(Br)c(Br)c1F
InChIInChI=1S/C6Br2ClF3/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyIPHGNIPGPDRWNN-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 54.28
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3-chloro-4,5,6-trifluorobenzene?
The IUPAC name of 1,2-dibromo-3-chloro-4,5,6-trifluorobenzene (CID 22007939) is 1,2-dibromo-3-chloro-4,5,6-trifluorobenzene.
What is the SMILES notation for 1,2-dibromo-3-chloro-4,5,6-trifluorobenzene?
The canonical SMILES for 1,2-dibromo-3-chloro-4,5,6-trifluorobenzene is Fc1c(F)c(Cl)c(Br)c(Br)c1F.
What is the InChIKey of 1,2-dibromo-3-chloro-4,5,6-trifluorobenzene?
The InChIKey is IPHGNIPGPDRWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br2ClF3/c7-1-2(8)4(10)6(12)5(11)3(1)9.
What are the key properties of 1,2-dibromo-3-chloro-4,5,6-trifluorobenzene?
1,2-dibromo-3-chloro-4,5,6-trifluorobenzene has a molecular weight of 324.32 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-chloro-4,5,6-trifluorobenzene is sourced from PubChem (CID 22007939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).