5-bromo-1,2,3-trifluorobenzene

C6H2BrF3 — CID 611409

IUPAC5-bromo-1,2,3-trifluorobenzene
SMILESFc1cc(Br)cc(F)c1F
InChIInChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKeyHKJCELUUIFFSIN-UHFFFAOYSA-N
MW210.98 g/mol
LogP2.87
Rot. Bonds

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

5-bromo-1,2,3-trifluorobenzene (PubChem CID 611409) has the molecular formula C6H2BrF3 and a molecular weight of 210.98 g/mol. Its IUPAC name is 5-bromo-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-bromo-1,2,3-trifluorobenzene
PubChem CID611409
Molecular FormulaC6H2BrF3
Molecular Weight210.98 g/mol
Exact Mass209.93
IUPAC Name5-bromo-1,2,3-trifluorobenzene
SMILESFc1cc(Br)cc(F)c1F
InChIInChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKeyHKJCELUUIFFSIN-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 5-bromo-1,2,3-trifluorobenzene?
The IUPAC name of 5-bromo-1,2,3-trifluorobenzene (CID 611409) is 5-bromo-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-bromo-1,2,3-trifluorobenzene?
The canonical SMILES for 5-bromo-1,2,3-trifluorobenzene is Fc1cc(Br)cc(F)c1F.
What is the InChIKey of 5-bromo-1,2,3-trifluorobenzene?
The InChIKey is HKJCELUUIFFSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H.
What are the key properties of 5-bromo-1,2,3-trifluorobenzene?
5-bromo-1,2,3-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 5-bromo-1,2,3-trifluorobenzene is sourced from PubChem (CID 611409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).