1-bromo-2,4,6-trichloro-3,5-difluorobenzene

C6BrCl3F2 — CID 23431777

IUPAC1-bromo-2,4,6-trichloro-3,5-difluorobenzene
SMILESFc1c(Cl)c(F)c(Cl)c(Br)c1Cl
InChIInChI=1S/C6BrCl3F2/c7-1-2(8)5(11)4(10)6(12)3(1)9
InChIKeyHQNDJCOIBKDIFX-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.69
Rot. Bonds

About 1-bromo-2,4,6-trichloro-3,5-difluorobenzene

1-bromo-2,4,6-trichloro-3,5-difluorobenzene (PubChem CID 23431777) has the molecular formula C6BrCl3F2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-bromo-2,4,6-trichloro-3,5-difluorobenzene.

Molecular Properties

Compound Name1-bromo-2,4,6-trichloro-3,5-difluorobenzene
PubChem CID23431777
Molecular FormulaC6BrCl3F2
Molecular Weight296.33 g/mol
Exact Mass293.82
IUPAC Name1-bromo-2,4,6-trichloro-3,5-difluorobenzene
SMILESFc1c(Cl)c(F)c(Cl)c(Br)c1Cl
InChIInChI=1S/C6BrCl3F2/c7-1-2(8)5(11)4(10)6(12)3(1)9
InChIKeyHQNDJCOIBKDIFX-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.69
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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Related Compounds

1-Bromo-4-chloro-2,3,5,6-tetrafluorobenzene
CID 622047
1-Bromo-3,5-dichloro-2,4,6-trifluorobenzene
CID 2782465
1-Bromo-2,4-dichloro-5-fluorobenzene
CID 11791393
1-Bromo-2-chloro-3,4,5,6-tetrafluorobenzene
CID 22007931
1,3,5-Tribromo-2,4,6-trichlorobenzene
CID 22311457
2,6-Dibromo-3,5-dichloro-4-fluoroiodobenzene
CID 635049
1-Bromo-2,4-dichloro-3,5-difluorobenzene
CID 70699617
1-Bromo-2,3,4-trichloro-5,6-difluorobenzene
CID 17900813
1,2,3-Tribromo-4-chloro-5,6-difluorobenzene
CID 17900814
1,2-Dibromo-3,4,5-trichloro-6-fluorobenzene
CID 22007929
1-Bromo-2,3,4,5-tetrachloro-6-fluorobenzene
CID 22007935
1-Bromo-2,3-dichloro-4,5,6-trifluorobenzene
CID 22007936

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4,6-trichloro-3,5-difluorobenzene?
The IUPAC name of 1-bromo-2,4,6-trichloro-3,5-difluorobenzene (CID 23431777) is 1-bromo-2,4,6-trichloro-3,5-difluorobenzene.
What is the SMILES notation for 1-bromo-2,4,6-trichloro-3,5-difluorobenzene?
The canonical SMILES for 1-bromo-2,4,6-trichloro-3,5-difluorobenzene is Fc1c(Cl)c(F)c(Cl)c(Br)c1Cl.
What is the InChIKey of 1-bromo-2,4,6-trichloro-3,5-difluorobenzene?
The InChIKey is HQNDJCOIBKDIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6BrCl3F2/c7-1-2(8)5(11)4(10)6(12)3(1)9.
What are the key properties of 1-bromo-2,4,6-trichloro-3,5-difluorobenzene?
1-bromo-2,4,6-trichloro-3,5-difluorobenzene has a molecular weight of 296.33 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4,6-trichloro-3,5-difluorobenzene is sourced from PubChem (CID 23431777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).