2-Bromo-1-chloro-4-fluorobenzene

C6H3BrClF — CID 2773263

IUPAC2-bromo-1-chloro-4-fluorobenzene
SMILESC1=CC(=C(C=C1F)Br)Cl
InChIInChI=1S/C6H3BrClF/c7-5-3-4(9)1-2-6(5)8/h1-3H
InChIKeyFOCCSIJMXBTKHD-UHFFFAOYSA-N
MW209.44 g/mol
LogP3.30
Rot. Bonds

About 2-Bromo-1-chloro-4-fluorobenzene

2-Bromo-1-chloro-4-fluorobenzene (PubChem CID 2773263) has the molecular formula C6H3BrClF and a molecular weight of 209.44 g/mol. Its IUPAC name is 2-bromo-1-chloro-4-fluorobenzene.

Molecular Properties

Compound Name2-Bromo-1-chloro-4-fluorobenzene
PubChem CID2773263
Molecular FormulaC6H3BrClF
Molecular Weight209.44 g/mol
Exact Mass207.91
IUPAC Name2-bromo-1-chloro-4-fluorobenzene
SMILESC1=CC(=C(C=C1F)Br)Cl
InChIInChI=1S/C6H3BrClF/c7-5-3-4(9)1-2-6(5)8/h1-3H
InChIKeyFOCCSIJMXBTKHD-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity99

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-2,6-dichlorobenzene
CID 29568
p-Bromochlorobenzene
CID 7806
1-Bromo-3-chlorobenzene
CID 7928
1-Bromo-2-chlorobenzene
CID 12754
1-Bromo-2,4-dichlorobenzene
CID 70947
1-Bromo-4-chloro-2-fluorobenzene
CID 137275
2-Bromo-1,4-dichlorobenzene
CID 15033
1-Bromo-2,3-dichlorobenzene
CID 42066
2-Bromo-1,3,5-trichlorobenzene
CID 140526
2-Bromo-4-chloro-1-fluorobenzene
CID 2773264
1,3-Dibromo-2-chlorobenzene
CID 14029661
1,4-Dibromo-2-chlorobenzene
CID 2724603

Frequently Asked Questions

What is the IUPAC name of 2-Bromo-1-chloro-4-fluorobenzene?
The IUPAC name of 2-Bromo-1-chloro-4-fluorobenzene (CID 2773263) is 2-bromo-1-chloro-4-fluorobenzene.
What is the SMILES notation for 2-Bromo-1-chloro-4-fluorobenzene?
The canonical SMILES for 2-Bromo-1-chloro-4-fluorobenzene is C1=CC(=C(C=C1F)Br)Cl.
What is the InChIKey of 2-Bromo-1-chloro-4-fluorobenzene?
The InChIKey is FOCCSIJMXBTKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF/c7-5-3-4(9)1-2-6(5)8/h1-3H.
What are the key properties of 2-Bromo-1-chloro-4-fluorobenzene?
2-Bromo-1-chloro-4-fluorobenzene has a molecular weight of 209.44 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Bromo-1-chloro-4-fluorobenzene is sourced from PubChem (CID 2773263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).