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

C13H7Br2ClF2 — CID 81461691

IUPAC1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
SMILESFc1ccc(C(Br)c2cccc(F)c2Cl)cc1Br
InChIInChI=1S/C13H7Br2ClF2/c14-9-6-7(4-5-10(9)17)12(15)8-2-1-3-11(18)13(8)16/h1-6,12H
InChIKeyGGCPDBLTMBJYIN-UHFFFAOYSA-N
MW396.46 g/mol
LogP5.86
Rot. Bonds2

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

1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene (PubChem CID 81461691) has the molecular formula C13H7Br2ClF2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene.

Molecular Properties

Compound Name1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
PubChem CID81461691
Molecular FormulaC13H7Br2ClF2
Molecular Weight396.46 g/mol
Exact Mass393.86
IUPAC Name1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
SMILESFc1ccc(C(Br)c2cccc(F)c2Cl)cc1Br
InChIInChI=1S/C13H7Br2ClF2/c14-9-6-7(4-5-10(9)17)12(15)8-2-1-3-11(18)13(8)16/h1-6,12H
InChIKeyGGCPDBLTMBJYIN-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene
CID 113403107
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene
CID 107099304
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
CID 106863207
2-bromo-4-[bromo-(3-methylphenyl)methyl]-1-fluorobenzene
CID 79742867
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-3-chloro-2-fluorobenzene
CID 81263058
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958779
2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene
CID 79743561
1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene
CID 81449447
2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene
CID 107958798
1-[bromo-(4-butylphenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461369
2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
CID 79747210
2-bromo-1-[bromo-(3,4-difluorophenyl)methyl]-4-chlorobenzene
CID 114024911

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene?
The IUPAC name of 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene (CID 81461691) is 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene.
What is the SMILES notation for 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene?
The canonical SMILES for 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene is Fc1ccc(C(Br)c2cccc(F)c2Cl)cc1Br.
What is the InChIKey of 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene?
The InChIKey is GGCPDBLTMBJYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClF2/c14-9-6-7(4-5-10(9)17)12(15)8-2-1-3-11(18)13(8)16/h1-6,12H.
What are the key properties of 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene?
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene has a molecular weight of 396.46 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene is sourced from PubChem (CID 81461691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).