4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene

C13H8Br2ClF — CID 63437201

IUPAC4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Br2ClF/c14-9-3-6-11(12(17)7-9)13(15)8-1-4-10(16)5-2-8/h1-7,13H
InChIKeyUDXMXVUHSLMDPO-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.73
Rot. Bonds2

About 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene

4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene (PubChem CID 63437201) has the molecular formula C13H8Br2ClF and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
PubChem CID63437201
Molecular FormulaC13H8Br2ClF
Molecular Weight378.47 g/mol
Exact Mass375.87
IUPAC Name4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Br2ClF/c14-9-3-6-11(12(17)7-9)13(15)8-1-4-10(16)5-2-8/h1-7,13H
InChIKeyUDXMXVUHSLMDPO-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.73
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

4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 55199444
4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene
CID 63439911
1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene
CID 63437001
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene
CID 55200086
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene
CID 113296148
1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63437114
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 82964918
5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144632
5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61097913
4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
CID 79747238
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene (CID 63437201) is 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene is Fc1cc(Br)ccc1C(Br)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene?
The InChIKey is UDXMXVUHSLMDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClF/c14-9-3-6-11(12(17)7-9)13(15)8-1-4-10(16)5-2-8/h1-7,13H.
What are the key properties of 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene?
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene has a molecular weight of 378.47 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 63437201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).