1-bromo-3-chloro-2,4,5-trifluorobenzene

C6HBrClF3 — CID 14978107

IUPAC1-bromo-3-chloro-2,4,5-trifluorobenzene
SMILESFc1cc(Br)c(F)c(Cl)c1F
InChIInChI=1S/C6HBrClF3/c7-2-1-3(9)6(11)4(8)5(2)10/h1H
InChIKeyVYULIZVZKXJRMU-UHFFFAOYSA-N
MW245.42 g/mol
LogP3.52
Rot. Bonds

About 1-bromo-3-chloro-2,4,5-trifluorobenzene

1-bromo-3-chloro-2,4,5-trifluorobenzene (PubChem CID 14978107) has the molecular formula C6HBrClF3 and a molecular weight of 245.42 g/mol. Its IUPAC name is 1-bromo-3-chloro-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2,4,5-trifluorobenzene
PubChem CID14978107
Molecular FormulaC6HBrClF3
Molecular Weight245.42 g/mol
Exact Mass243.89
IUPAC Name1-bromo-3-chloro-2,4,5-trifluorobenzene
SMILESFc1cc(Br)c(F)c(Cl)c1F
InChIInChI=1S/C6HBrClF3/c7-2-1-3(9)6(11)4(8)5(2)10/h1H
InChIKeyVYULIZVZKXJRMU-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 53.52
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-3-chloro-2,4,5-trifluorobenzene?
The IUPAC name of 1-bromo-3-chloro-2,4,5-trifluorobenzene (CID 14978107) is 1-bromo-3-chloro-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-bromo-3-chloro-2,4,5-trifluorobenzene?
The canonical SMILES for 1-bromo-3-chloro-2,4,5-trifluorobenzene is Fc1cc(Br)c(F)c(Cl)c1F.
What is the InChIKey of 1-bromo-3-chloro-2,4,5-trifluorobenzene?
The InChIKey is VYULIZVZKXJRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrClF3/c7-2-1-3(9)6(11)4(8)5(2)10/h1H.
What are the key properties of 1-bromo-3-chloro-2,4,5-trifluorobenzene?
1-bromo-3-chloro-2,4,5-trifluorobenzene has a molecular weight of 245.42 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2,4,5-trifluorobenzene is sourced from PubChem (CID 14978107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).