1-bromo-2,3,4-trifluorobenzene

C6H2BrF3 — CID 2733255

IUPAC1-bromo-2,3,4-trifluorobenzene
SMILESFc1ccc(Br)c(F)c1F
InChIInChI=1S/C6H2BrF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKeyMUUAQFJJUGVBGB-UHFFFAOYSA-N
MW210.98 g/mol
LogP2.87
Rot. Bonds

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

1-bromo-2,3,4-trifluorobenzene (PubChem CID 2733255) has the molecular formula C6H2BrF3 and a molecular weight of 210.98 g/mol. Its IUPAC name is 1-bromo-2,3,4-trifluorobenzene.

Molecular Properties

Compound Name1-bromo-2,3,4-trifluorobenzene
PubChem CID2733255
Molecular FormulaC6H2BrF3
Molecular Weight210.98 g/mol
Exact Mass209.93
IUPAC Name1-bromo-2,3,4-trifluorobenzene
SMILESFc1ccc(Br)c(F)c1F
InChIInChI=1S/C6H2BrF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKeyMUUAQFJJUGVBGB-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.98
LogP ≤ 52.87
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-2,3,4-trifluorobenzene?
The IUPAC name of 1-bromo-2,3,4-trifluorobenzene (CID 2733255) is 1-bromo-2,3,4-trifluorobenzene.
What is the SMILES notation for 1-bromo-2,3,4-trifluorobenzene?
The canonical SMILES for 1-bromo-2,3,4-trifluorobenzene is Fc1ccc(Br)c(F)c1F.
What is the InChIKey of 1-bromo-2,3,4-trifluorobenzene?
The InChIKey is MUUAQFJJUGVBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H.
What are the key properties of 1-bromo-2,3,4-trifluorobenzene?
1-bromo-2,3,4-trifluorobenzene has a molecular weight of 210.98 g/mol, XLogP of 2.87, 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-trifluorobenzene is sourced from PubChem (CID 2733255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).