1-bromo-2,4-dichloro-3,5,6-trifluorobenzene

C6BrCl2F3 — CID 118836073

IUPAC1-bromo-2,4-dichloro-3,5,6-trifluorobenzene
SMILESFc1c(F)c(Br)c(Cl)c(F)c1Cl
InChIInChI=1S/C6BrCl2F3/c7-1-2(8)5(11)3(9)6(12)4(1)10
InChIKeyPNUQAWDIFNRYSX-UHFFFAOYSA-N
MW279.87 g/mol
LogP4.17
Rot. Bonds

About 1-bromo-2,4-dichloro-3,5,6-trifluorobenzene

1-bromo-2,4-dichloro-3,5,6-trifluorobenzene (PubChem CID 118836073) has the molecular formula C6BrCl2F3 and a molecular weight of 279.87 g/mol. Its IUPAC name is 1-bromo-2,4-dichloro-3,5,6-trifluorobenzene.

Molecular Properties

Compound Name1-bromo-2,4-dichloro-3,5,6-trifluorobenzene
PubChem CID118836073
Molecular FormulaC6BrCl2F3
Molecular Weight279.87 g/mol
Exact Mass277.85
IUPAC Name1-bromo-2,4-dichloro-3,5,6-trifluorobenzene
SMILESFc1c(F)c(Br)c(Cl)c(F)c1Cl
InChIInChI=1S/C6BrCl2F3/c7-1-2(8)5(11)3(9)6(12)4(1)10
InChIKeyPNUQAWDIFNRYSX-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.87
LogP ≤ 54.17
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-2,4-dichloro-3,5,6-trifluorobenzene?
The IUPAC name of 1-bromo-2,4-dichloro-3,5,6-trifluorobenzene (CID 118836073) is 1-bromo-2,4-dichloro-3,5,6-trifluorobenzene.
What is the SMILES notation for 1-bromo-2,4-dichloro-3,5,6-trifluorobenzene?
The canonical SMILES for 1-bromo-2,4-dichloro-3,5,6-trifluorobenzene is Fc1c(F)c(Br)c(Cl)c(F)c1Cl.
What is the InChIKey of 1-bromo-2,4-dichloro-3,5,6-trifluorobenzene?
The InChIKey is PNUQAWDIFNRYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6BrCl2F3/c7-1-2(8)5(11)3(9)6(12)4(1)10.
What are the key properties of 1-bromo-2,4-dichloro-3,5,6-trifluorobenzene?
1-bromo-2,4-dichloro-3,5,6-trifluorobenzene has a molecular weight of 279.87 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-dichloro-3,5,6-trifluorobenzene is sourced from PubChem (CID 118836073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).