1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene

C13H6Br2Cl2F2 — CID 22475189

IUPAC1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
SMILESFc1c(Cc2ccc(Br)c(Cl)c2F)ccc(Br)c1Cl
InChIInChI=1S/C13H6Br2Cl2F2/c14-8-3-1-6(12(18)10(8)16)5-7-2-4-9(15)11(17)13(7)19/h1-4H,5H2
InChIKeyKQSJGSPFFRSZPR-UHFFFAOYSA-N
MW430.90 g/mol
LogP6.39
Rot. Bonds2

About 1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene

1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene (PubChem CID 22475189) has the molecular formula C13H6Br2Cl2F2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
PubChem CID22475189
Molecular FormulaC13H6Br2Cl2F2
Molecular Weight430.90 g/mol
Exact Mass427.82
IUPAC Name1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
SMILESFc1c(Cc2ccc(Br)c(Cl)c2F)ccc(Br)c1Cl
InChIInChI=1S/C13H6Br2Cl2F2/c14-8-3-1-6(12(18)10(8)16)5-7-2-4-9(15)11(17)13(7)19/h1-4H,5H2
InChIKeyKQSJGSPFFRSZPR-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.90
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-1,3-dichloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 12040587
1-Bromo-2-chloro-4-(trifluoromethyl)benzene
CID 14273266
1-Bromo-2-chloro-5-fluoro-4-methylbenzene
CID 2773272
1-Bromo-4-(bromomethyl)-2-chlorobenzene
CID 12947392
4-Bromo-4'-chloro-2-fluoro-1,1'-biphenyl
CID 19042620
1-Bromo-2-chloro-4-(difluoromethyl)benzene
CID 56965490
1-Bromo-2-chloro-4-ethylbenzene
CID 57531706
1-Bromo-2-chloro-4-(1,1-difluoroethyl)benzene
CID 84708621
4-Bromo-3-chloro-2-fluorobenzyl bromide
CID 131574466
1-(4-Bromo-3-chloro-2-methylphenyl)-2,3,4,5,6-pentafluorobenzene
CID 155933448
4-Bromo-3'-chloro-1,1'-biphenyl
CID 2756875
1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene
CID 139240528

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene?
The IUPAC name of 1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene (CID 22475189) is 1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene?
The canonical SMILES for 1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene is Fc1c(Cc2ccc(Br)c(Cl)c2F)ccc(Br)c1Cl.
What is the InChIKey of 1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene?
The InChIKey is KQSJGSPFFRSZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2Cl2F2/c14-8-3-1-6(12(18)10(8)16)5-7-2-4-9(15)11(17)13(7)19/h1-4H,5H2.
What are the key properties of 1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene?
1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene has a molecular weight of 430.90 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-2-chloro-3-fluorobenzene is sourced from PubChem (CID 22475189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).