1-bromo-2,4-dichloro-3,5-difluorobenzene

C6HBrCl2F2 — CID 70699617

IUPAC1-bromo-2,4-dichloro-3,5-difluorobenzene
SMILESFc1cc(Br)c(Cl)c(F)c1Cl
InChIInChI=1S/C6HBrCl2F2/c7-2-1-3(10)5(9)6(11)4(2)8/h1H
InChIKeyJMZSSKGAWNYCOL-UHFFFAOYSA-N
MW261.88 g/mol
LogP4.03
Rot. Bonds

About 1-bromo-2,4-dichloro-3,5-difluorobenzene

1-bromo-2,4-dichloro-3,5-difluorobenzene (PubChem CID 70699617) has the molecular formula C6HBrCl2F2 and a molecular weight of 261.88 g/mol. Its IUPAC name is 1-bromo-2,4-dichloro-3,5-difluorobenzene.

Molecular Properties

Compound Name1-bromo-2,4-dichloro-3,5-difluorobenzene
PubChem CID70699617
Molecular FormulaC6HBrCl2F2
Molecular Weight261.88 g/mol
Exact Mass259.86
IUPAC Name1-bromo-2,4-dichloro-3,5-difluorobenzene
SMILESFc1cc(Br)c(Cl)c(F)c1Cl
InChIInChI=1S/C6HBrCl2F2/c7-2-1-3(10)5(9)6(11)4(2)8/h1H
InChIKeyJMZSSKGAWNYCOL-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.88
LogP ≤ 54.03
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-2,4-dichlorobenzene
CID 70947
1-Bromo-4-chloro-2-fluorobenzene
CID 137275
2-Bromo-1,3,5-trichlorobenzene
CID 140526
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
1-Bromo-2-chloro-3-fluorobenzene
CID 3739301
1-Bromo-3-chloro-2,4-difluorobenzene
CID 2773256
5-Bromo-2-chloro-1,3-difluorobenzene
CID 2773258
2-Bromo-1-chloro-4-fluorobenzene
CID 2773263
1-Bromo-2,5-dichloro-3-fluorobenzene
CID 618513

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-dichloro-3,5-difluorobenzene?
The IUPAC name of 1-bromo-2,4-dichloro-3,5-difluorobenzene (CID 70699617) is 1-bromo-2,4-dichloro-3,5-difluorobenzene.
What is the SMILES notation for 1-bromo-2,4-dichloro-3,5-difluorobenzene?
The canonical SMILES for 1-bromo-2,4-dichloro-3,5-difluorobenzene is Fc1cc(Br)c(Cl)c(F)c1Cl.
What is the InChIKey of 1-bromo-2,4-dichloro-3,5-difluorobenzene?
The InChIKey is JMZSSKGAWNYCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrCl2F2/c7-2-1-3(10)5(9)6(11)4(2)8/h1H.
What are the key properties of 1-bromo-2,4-dichloro-3,5-difluorobenzene?
1-bromo-2,4-dichloro-3,5-difluorobenzene has a molecular weight of 261.88 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-dichloro-3,5-difluorobenzene is sourced from PubChem (CID 70699617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).