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

C13H7Br3ClF — CID 113403107

IUPAC1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene
SMILESFc1ccc(C(Br)c2cccc(Br)c2Cl)cc1Br
InChIInChI=1S/C13H7Br3ClF/c14-9-3-1-2-8(13(9)17)12(16)7-4-5-11(18)10(15)6-7/h1-6,12H
InChIKeyWADIODNEVYFCPZ-UHFFFAOYSA-N
MW457.36 g/mol
LogP6.49
Rot. Bonds2

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

1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene (PubChem CID 113403107) has the molecular formula C13H7Br3ClF and a molecular weight of 457.36 g/mol. Its IUPAC name is 1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene.

Molecular Properties

Compound Name1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene
PubChem CID113403107
Molecular FormulaC13H7Br3ClF
Molecular Weight457.36 g/mol
Exact Mass453.78
IUPAC Name1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene
SMILESFc1ccc(C(Br)c2cccc(Br)c2Cl)cc1Br
InChIInChI=1S/C13H7Br3ClF/c14-9-3-1-2-8(13(9)17)12(16)7-4-5-11(18)10(15)6-7/h1-6,12H
InChIKeyWADIODNEVYFCPZ-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 56.49
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-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461691
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
2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene
CID 107958798
2-bromo-1-[bromo-(3,4-difluorophenyl)methyl]-4-chlorobenzene
CID 114024911
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
CID 79747210
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
(3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 105022461

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene?
The IUPAC name of 1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene (CID 113403107) is 1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene.
What is the SMILES notation for 1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene?
The canonical SMILES for 1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene is Fc1ccc(C(Br)c2cccc(Br)c2Cl)cc1Br.
What is the InChIKey of 1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene?
The InChIKey is WADIODNEVYFCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3ClF/c14-9-3-1-2-8(13(9)17)12(16)7-4-5-11(18)10(15)6-7/h1-6,12H.
What are the key properties of 1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene?
1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene has a molecular weight of 457.36 g/mol, XLogP of 6.49, 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-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene is sourced from PubChem (CID 113403107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).