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

C6BrCl2F3 — CID 22007936

IUPAC1-bromo-2,3-dichloro-4,5,6-trifluorobenzene
SMILESFc1c(F)c(Cl)c(Cl)c(Br)c1F
InChIInChI=1S/C6BrCl2F3/c7-1-2(8)3(9)5(11)6(12)4(1)10
InChIKeyUAMCYPDRWSAEOW-UHFFFAOYSA-N
MW279.87 g/mol
LogP4.17
Rot. Bonds

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

1-bromo-2,3-dichloro-4,5,6-trifluorobenzene (PubChem CID 22007936) has the molecular formula C6BrCl2F3 and a molecular weight of 279.87 g/mol. Its IUPAC name is 1-bromo-2,3-dichloro-4,5,6-trifluorobenzene.

Molecular Properties

Compound Name1-bromo-2,3-dichloro-4,5,6-trifluorobenzene
PubChem CID22007936
Molecular FormulaC6BrCl2F3
Molecular Weight279.87 g/mol
Exact Mass277.85
IUPAC Name1-bromo-2,3-dichloro-4,5,6-trifluorobenzene
SMILESFc1c(F)c(Cl)c(Cl)c(Br)c1F
InChIInChI=1S/C6BrCl2F3/c7-1-2(8)3(9)5(11)6(12)4(1)10
InChIKeyUAMCYPDRWSAEOW-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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Related Compounds

1-Bromo-3,5-dichloro-2,4,6-trifluorobenzene
CID 2782465
1-Bromo-2,3-dichloro-5-fluorobenzene
CID 21691051
1-Bromo-2-chloro-3,4,5,6-tetrafluorobenzene
CID 22007931
1-Fluoro-3-bromo-4-iodo-2,5,6-trichlorobenzene
CID 581714
1-Bromo-2,3,5,6-tetrachloro-4-fluorobenzene
CID 628565
1,2-Dibromo-3,4,6-trichloro-5-fluorobenzene
CID 632183
1-Bromo-2,3,4-trichloro-5,6-difluorobenzene
CID 17900813
1,2-Dibromo-3,4-dichloro-5,6-difluorobenzene
CID 22007928
1,2-Dibromo-3,4,5-trichloro-6-fluorobenzene
CID 22007929
1,2,3-Tribromo-4,5-dichloro-6-fluorobenzene
CID 22007932
1-Bromo-2,3,4,5-tetrachloro-6-fluorobenzene
CID 22007935
1,2-Dibromo-3-chloro-4,5,6-trifluorobenzene
CID 22007939

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-dichloro-4,5,6-trifluorobenzene?
The IUPAC name of 1-bromo-2,3-dichloro-4,5,6-trifluorobenzene (CID 22007936) is 1-bromo-2,3-dichloro-4,5,6-trifluorobenzene.
What is the SMILES notation for 1-bromo-2,3-dichloro-4,5,6-trifluorobenzene?
The canonical SMILES for 1-bromo-2,3-dichloro-4,5,6-trifluorobenzene is Fc1c(F)c(Cl)c(Cl)c(Br)c1F.
What is the InChIKey of 1-bromo-2,3-dichloro-4,5,6-trifluorobenzene?
The InChIKey is UAMCYPDRWSAEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6BrCl2F3/c7-1-2(8)3(9)5(11)6(12)4(1)10.
What are the key properties of 1-bromo-2,3-dichloro-4,5,6-trifluorobenzene?
1-bromo-2,3-dichloro-4,5,6-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-2,3-dichloro-4,5,6-trifluorobenzene is sourced from PubChem (CID 22007936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).