4-bromo-2-chloro-1-fluorobenzene

C6H3BrClF — CID 3543065

IUPAC4-bromo-2-chloro-1-fluorobenzene
SMILESFc1ccc(Br)cc1Cl
InChIInChI=1S/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKeyCJTIWGBQCVYTQE-UHFFFAOYSA-N
MW209.44 g/mol
LogP3.24
Rot. Bonds

About 4-bromo-2-chloro-1-fluorobenzene

4-bromo-2-chloro-1-fluorobenzene (PubChem CID 3543065) has the molecular formula C6H3BrClF and a molecular weight of 209.44 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-fluorobenzene
PubChem CID3543065
Molecular FormulaC6H3BrClF
Molecular Weight209.44 g/mol
Exact Mass207.91
IUPAC Name4-bromo-2-chloro-1-fluorobenzene
SMILESFc1ccc(Br)cc1Cl
InChIInChI=1S/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKeyCJTIWGBQCVYTQE-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 29568
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CID 7806
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CID 7928
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CID 12754
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CID 29766
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CID 29013
CID 29013
CID 137275
CID 137275
CID 15033
CID 15033
CID 42066
CID 42066
CID 2773264
CID 2773264
CID 4574491
CID 4574491
CID 84676
CID 84676

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-fluorobenzene?
The IUPAC name of 4-bromo-2-chloro-1-fluorobenzene (CID 3543065) is 4-bromo-2-chloro-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-chloro-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-chloro-1-fluorobenzene is Fc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-1-fluorobenzene?
The InChIKey is CJTIWGBQCVYTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3H.
What are the key properties of 4-bromo-2-chloro-1-fluorobenzene?
4-bromo-2-chloro-1-fluorobenzene has a molecular weight of 209.44 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-fluorobenzene is sourced from PubChem (CID 3543065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).