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

C6H2BrClF2 — CID 2761407

IUPAC2-bromo-5-chloro-1,3-difluorobenzene
SMILESFc1cc(Cl)cc(F)c1Br
InChIInChI=1S/C6H2BrClF2/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
InChIKeyOUMNGNRBHZGAMH-UHFFFAOYSA-N
MW227.43 g/mol
LogP3.38
Rot. Bonds

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

2-bromo-5-chloro-1,3-difluorobenzene (PubChem CID 2761407) has the molecular formula C6H2BrClF2 and a molecular weight of 227.43 g/mol. Its IUPAC name is 2-bromo-5-chloro-1,3-difluorobenzene.

Molecular Properties

Compound Name2-bromo-5-chloro-1,3-difluorobenzene
PubChem CID2761407
Molecular FormulaC6H2BrClF2
Molecular Weight227.43 g/mol
Exact Mass225.90
IUPAC Name2-bromo-5-chloro-1,3-difluorobenzene
SMILESFc1cc(Cl)cc(F)c1Br
InChIInChI=1S/C6H2BrClF2/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
InChIKeyOUMNGNRBHZGAMH-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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Related Compounds

2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene
CID 131150225
2-bromo-5-chloro-3-fluorobenzonitrile
CID 131622399
2-bromo-1-but-3-enyl-5-chloro-3-fluorobenzene
CID 170984324
2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene
CID 166147902
1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene
CID 131587303
1,4-dibromo-3-chloro-2,5-difluorobenzene
CID 118819170
1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039
2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride
CID 50998006
2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
CID 2778983
5-chloro-1,3-difluoro-2-(trifluoromethyl)benzene
CID 23450922
5-chloro-1,3-difluoro-2-(fluoromethyl)benzene
CID 130776716
1-(4-chloro-2,6-difluorophenyl)pyrrolidine
CID 168512042

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-1,3-difluorobenzene?
The IUPAC name of 2-bromo-5-chloro-1,3-difluorobenzene (CID 2761407) is 2-bromo-5-chloro-1,3-difluorobenzene.
What is the SMILES notation for 2-bromo-5-chloro-1,3-difluorobenzene?
The canonical SMILES for 2-bromo-5-chloro-1,3-difluorobenzene is Fc1cc(Cl)cc(F)c1Br.
What is the InChIKey of 2-bromo-5-chloro-1,3-difluorobenzene?
The InChIKey is OUMNGNRBHZGAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF2/c7-6-4(9)1-3(8)2-5(6)10/h1-2H.
What are the key properties of 2-bromo-5-chloro-1,3-difluorobenzene?
2-bromo-5-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 2-bromo-5-chloro-1,3-difluorobenzene is sourced from PubChem (CID 2761407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).