1-bromo-2,3,4,5,6-pentafluorobenzene

C6BrF5 — CID 9578

IUPAC1-bromo-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(Br)c(F)c1F
InChIInChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyXEKTVXADUPBFOA-UHFFFAOYSA-N
MW246.96 g/mol
LogP3.14
Rot. Bonds

About 1-bromo-2,3,4,5,6-pentafluorobenzene

1-bromo-2,3,4,5,6-pentafluorobenzene (PubChem CID 9578) has the molecular formula C6BrF5 and a molecular weight of 246.96 g/mol. Its IUPAC name is 1-bromo-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-bromo-2,3,4,5,6-pentafluorobenzene
PubChem CID9578
Molecular FormulaC6BrF5
Molecular Weight246.96 g/mol
Exact Mass245.91
IUPAC Name1-bromo-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(Br)c(F)c1F
InChIInChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyXEKTVXADUPBFOA-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.96
LogP ≤ 53.14
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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Related Compounds

1-Bromo-2,4,5-trifluorobenzene
CID 67597
1,2-Dibromo-3,4,5,6-tetrafluorobenzene
CID 70007
1,3-Dibromotetrafluorobenzene
CID 73793
1-Bromo-2,4,6-trifluorobenzene
CID 75398
1-Bromo-3,5-difluorobenzene
CID 136313
1-Bromo-3,4,5-trifluorobenzene
CID 611409
1-Bromo-2,3,4,5-tetrafluorobenzene
CID 66177
1,4-Dibromo-2,3,5,6-tetrafluorobenzene
CID 67653
3-Bromo-1,2,4,5-tetrafluorobenzene
CID 73794
Benzene, 1,3,5-tribromo-2,4,6-trifluoro-
CID 137562
1-Bromo-2,3,4-trifluorobenzene
CID 2733255
2-Bromo-1,3,4-trifluorobenzene
CID 2736401

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-bromo-2,3,4,5,6-pentafluorobenzene (CID 9578) is 1-bromo-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-bromo-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-bromo-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(Br)c(F)c1F.
What is the InChIKey of 1-bromo-2,3,4,5,6-pentafluorobenzene?
The InChIKey is XEKTVXADUPBFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9.
What are the key properties of 1-bromo-2,3,4,5,6-pentafluorobenzene?
1-bromo-2,3,4,5,6-pentafluorobenzene has a molecular weight of 246.96 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 9578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).