5-bromo-2-chloro-1,3-difluorobenzene

C6H2BrClF2 — CID 2773258

IUPAC5-bromo-2-chloro-1,3-difluorobenzene
SMILESFc1cc(Br)cc(F)c1Cl
InChIInChI=1S/C6H2BrClF2/c7-3-1-4(9)6(8)5(10)2-3/h1-2H
InChIKeySWELJVAWQMCJLG-UHFFFAOYSA-N
MW227.43 g/mol
LogP3.38
Rot. Bonds

About 5-bromo-2-chloro-1,3-difluorobenzene

5-bromo-2-chloro-1,3-difluorobenzene (PubChem CID 2773258) has the molecular formula C6H2BrClF2 and a molecular weight of 227.43 g/mol. Its IUPAC name is 5-bromo-2-chloro-1,3-difluorobenzene.

Molecular Properties

Compound Name5-bromo-2-chloro-1,3-difluorobenzene
PubChem CID2773258
Molecular FormulaC6H2BrClF2
Molecular Weight227.43 g/mol
Exact Mass225.90
IUPAC Name5-bromo-2-chloro-1,3-difluorobenzene
SMILESFc1cc(Br)cc(F)c1Cl
InChIInChI=1S/C6H2BrClF2/c7-3-1-4(9)6(8)5(10)2-3/h1-2H
InChIKeySWELJVAWQMCJLG-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.43
LogP ≤ 53.38
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 5-bromo-2-chloro-1,3-difluorobenzene?
The IUPAC name of 5-bromo-2-chloro-1,3-difluorobenzene (CID 2773258) is 5-bromo-2-chloro-1,3-difluorobenzene.
What is the SMILES notation for 5-bromo-2-chloro-1,3-difluorobenzene?
The canonical SMILES for 5-bromo-2-chloro-1,3-difluorobenzene is Fc1cc(Br)cc(F)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-1,3-difluorobenzene?
The InChIKey is SWELJVAWQMCJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF2/c7-3-1-4(9)6(8)5(10)2-3/h1-2H.
What are the key properties of 5-bromo-2-chloro-1,3-difluorobenzene?
5-bromo-2-chloro-1,3-difluorobenzene has a molecular weight of 227.43 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-1,3-difluorobenzene is sourced from PubChem (CID 2773258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).