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

C13H8Br2ClF — CID 63437114

IUPAC1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene
SMILESFc1ccc(Br)c(C(Br)c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H8Br2ClF/c14-12-6-5-10(17)7-11(12)13(15)8-1-3-9(16)4-2-8/h1-7,13H
InChIKeyJJOKEFDPNIAHHM-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.73
Rot. Bonds2

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

1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene (PubChem CID 63437114) has the molecular formula C13H8Br2ClF and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene
PubChem CID63437114
Molecular FormulaC13H8Br2ClF
Molecular Weight378.47 g/mol
Exact Mass375.87
IUPAC Name1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene
SMILESFc1ccc(Br)c(C(Br)c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H8Br2ClF/c14-12-6-5-10(17)7-11(12)13(15)8-1-3-9(16)4-2-8/h1-7,13H
InChIKeyJJOKEFDPNIAHHM-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

1,4-dibromo-2-[bromo-(4-fluorophenyl)methyl]benzene
CID 55198751
1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene
CID 63440295
1-bromo-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
1-bromo-2-[chloro-(3,4-difluorophenyl)methyl]-4-fluorobenzene
CID 55200230
2-[bromo-(4-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63437551
1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene
CID 63437855
2-[bromo-(2-bromo-5-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879985
2-bromo-1-[bromo-(3,4-difluorophenyl)methyl]-4-chlorobenzene
CID 114024911
1-(4-bromo-3-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 81291376
1-bromo-2-[chloro-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63433650
2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene
CID 107991605

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene (CID 63437114) is 1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene is Fc1ccc(Br)c(C(Br)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene?
The InChIKey is JJOKEFDPNIAHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClF/c14-12-6-5-10(17)7-11(12)13(15)8-1-3-9(16)4-2-8/h1-7,13H.
What are the key properties of 1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene?
1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-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 1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 63437114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).