1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene

C6BrClF4 — CID 622047

IUPAC1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene
SMILESFc1c(F)c(Br)c(F)c(F)c1Cl
InChIInChI=1S/C6BrClF4/c7-1-3(9)5(11)2(8)6(12)4(1)10
InChIKeyNBLNPUIBUYHFAT-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.66
Rot. Bonds

About 1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene

1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene (PubChem CID 622047) has the molecular formula C6BrClF4 and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene
PubChem CID622047
Molecular FormulaC6BrClF4
Molecular Weight263.41 g/mol
Exact Mass261.88
IUPAC Name1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene
SMILESFc1c(F)c(Br)c(F)c(F)c1Cl
InChIInChI=1S/C6BrClF4/c7-1-3(9)5(11)2(8)6(12)4(1)10
InChIKeyNBLNPUIBUYHFAT-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.66
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-bromo-4-chloro-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene (CID 622047) is 1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene is Fc1c(F)c(Br)c(F)c(F)c1Cl.
What is the InChIKey of 1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene?
The InChIKey is NBLNPUIBUYHFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6BrClF4/c7-1-3(9)5(11)2(8)6(12)4(1)10.
What are the key properties of 1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene?
1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene has a molecular weight of 263.41 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 622047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).