2-bromo-1,3-dichloro-5-fluorobenzene

C6H2BrCl2F — CID 21198143

IUPAC2-bromo-1,3-dichloro-5-fluorobenzene
SMILESFc1cc(Cl)c(Br)c(Cl)c1
InChIInChI=1S/C6H2BrCl2F/c7-6-4(8)1-3(10)2-5(6)9/h1-2H
InChIKeyOSXAPJFZNJFFJS-UHFFFAOYSA-N
MW243.89 g/mol
LogP3.89
Rot. Bonds

About 2-bromo-1,3-dichloro-5-fluorobenzene

2-bromo-1,3-dichloro-5-fluorobenzene (PubChem CID 21198143) has the molecular formula C6H2BrCl2F and a molecular weight of 243.89 g/mol. Its IUPAC name is 2-bromo-1,3-dichloro-5-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1,3-dichloro-5-fluorobenzene
PubChem CID21198143
Molecular FormulaC6H2BrCl2F
Molecular Weight243.89 g/mol
Exact Mass241.87
IUPAC Name2-bromo-1,3-dichloro-5-fluorobenzene
SMILESFc1cc(Cl)c(Br)c(Cl)c1
InChIInChI=1S/C6H2BrCl2F/c7-6-4(8)1-3(10)2-5(6)9/h1-2H
InChIKeyOSXAPJFZNJFFJS-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.89
LogP ≤ 53.89
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-2,6-dichlorobenzene
CID 29568
1-Bromo-2-chlorobenzene
CID 12754
Benzene, 1-bromo-3,5-dichloro-
CID 29766
1-Bromo-2,4-dichlorobenzene
CID 70947
1-Bromo-4-chloro-2-fluorobenzene
CID 137275
2-Bromo-1,4-dichlorobenzene
CID 15033
2-Bromo-1,3,5-trichlorobenzene
CID 140526
2-Bromo-4-chloro-1-fluorobenzene
CID 2773264
5-Bromo-1,3-dichloro-2-iodobenzene
CID 4574491
1,3-Dibromo-2-chloro-5-fluorobenzene
CID 2724604
4-Bromo-1-chloro-2-fluorobenzene
CID 2724690
1-Bromo-2-chloro-4-fluorobenzene
CID 2733406

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dichloro-5-fluorobenzene?
The IUPAC name of 2-bromo-1,3-dichloro-5-fluorobenzene (CID 21198143) is 2-bromo-1,3-dichloro-5-fluorobenzene.
What is the SMILES notation for 2-bromo-1,3-dichloro-5-fluorobenzene?
The canonical SMILES for 2-bromo-1,3-dichloro-5-fluorobenzene is Fc1cc(Cl)c(Br)c(Cl)c1.
What is the InChIKey of 2-bromo-1,3-dichloro-5-fluorobenzene?
The InChIKey is OSXAPJFZNJFFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2F/c7-6-4(8)1-3(10)2-5(6)9/h1-2H.
What are the key properties of 2-bromo-1,3-dichloro-5-fluorobenzene?
2-bromo-1,3-dichloro-5-fluorobenzene has a molecular weight of 243.89 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dichloro-5-fluorobenzene is sourced from PubChem (CID 21198143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).