1,4-dibromo-3-chloro-2,5-difluorobenzene

C6HBr2ClF2 — CID 118819170

IUPAC1,4-dibromo-3-chloro-2,5-difluorobenzene
SMILESFc1cc(Br)c(F)c(Cl)c1Br
InChIInChI=1S/C6HBr2ClF2/c7-2-1-3(10)4(8)5(9)6(2)11/h1H
InChIKeyXMMXOYLGLZDQIN-UHFFFAOYSA-N
MW306.33 g/mol
LogP4.14
Rot. Bonds

About 1,4-dibromo-3-chloro-2,5-difluorobenzene

1,4-dibromo-3-chloro-2,5-difluorobenzene (PubChem CID 118819170) has the molecular formula C6HBr2ClF2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1,4-dibromo-3-chloro-2,5-difluorobenzene.

Molecular Properties

Compound Name1,4-dibromo-3-chloro-2,5-difluorobenzene
PubChem CID118819170
Molecular FormulaC6HBr2ClF2
Molecular Weight306.33 g/mol
Exact Mass303.81
IUPAC Name1,4-dibromo-3-chloro-2,5-difluorobenzene
SMILESFc1cc(Br)c(F)c(Cl)c1Br
InChIInChI=1S/C6HBr2ClF2/c7-2-1-3(10)4(8)5(9)6(2)11/h1H
InChIKeyXMMXOYLGLZDQIN-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.14
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 1,4-dibromo-3-chloro-2,5-difluorobenzene?
The IUPAC name of 1,4-dibromo-3-chloro-2,5-difluorobenzene (CID 118819170) is 1,4-dibromo-3-chloro-2,5-difluorobenzene.
What is the SMILES notation for 1,4-dibromo-3-chloro-2,5-difluorobenzene?
The canonical SMILES for 1,4-dibromo-3-chloro-2,5-difluorobenzene is Fc1cc(Br)c(F)c(Cl)c1Br.
What is the InChIKey of 1,4-dibromo-3-chloro-2,5-difluorobenzene?
The InChIKey is XMMXOYLGLZDQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2ClF2/c7-2-1-3(10)4(8)5(9)6(2)11/h1H.
What are the key properties of 1,4-dibromo-3-chloro-2,5-difluorobenzene?
1,4-dibromo-3-chloro-2,5-difluorobenzene has a molecular weight of 306.33 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-3-chloro-2,5-difluorobenzene is sourced from PubChem (CID 118819170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).