2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene

C15H12Br3F — CID 106880040

IUPAC2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
SMILESCc1cc(F)cc(C)c1C(Br)c1cc(Br)ccc1Br
InChIInChI=1S/C15H12Br3F/c1-8-5-11(19)6-9(2)14(8)15(18)12-7-10(16)3-4-13(12)17/h3-7,15H,1-2H3
InChIKeyBXOGEZQPBPVKIU-UHFFFAOYSA-N
MW450.97 g/mol
LogP6.45
Rot. Bonds2

About 2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene

2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene (PubChem CID 106880040) has the molecular formula C15H12Br3F and a molecular weight of 450.97 g/mol. Its IUPAC name is 2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
PubChem CID106880040
Molecular FormulaC15H12Br3F
Molecular Weight450.97 g/mol
Exact Mass447.85
IUPAC Name2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
SMILESCc1cc(F)cc(C)c1C(Br)c1cc(Br)ccc1Br
InChIInChI=1S/C15H12Br3F/c1-8-5-11(19)6-9(2)14(8)15(18)12-7-10(16)3-4-13(12)17/h3-7,15H,1-2H3
InChIKeyBXOGEZQPBPVKIU-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 56.45
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

2-[bromo-(2-bromo-5-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879985
2-[bromo-(2-bromo-5-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 81112447
1,4-dibromo-2-[bromo-(4-fluorophenyl)methyl]benzene
CID 55198751
2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879999
3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran
CID 65152041
2-[bromo-(4-fluoro-2-iodophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 114029530
2-[bromo-(2-chloro-4-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879876
1-bromo-3-[bromo-(2,5-dibromophenyl)methyl]-4-methoxy-2,5-dimethylbenzene
CID 114375192
1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene
CID 63437775
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880012
2-[bromo-(4-propan-2-ylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880016

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene?
The IUPAC name of 2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene (CID 106880040) is 2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene is Cc1cc(F)cc(C)c1C(Br)c1cc(Br)ccc1Br.
What is the InChIKey of 2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene?
The InChIKey is BXOGEZQPBPVKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br3F/c1-8-5-11(19)6-9(2)14(8)15(18)12-7-10(16)3-4-13(12)17/h3-7,15H,1-2H3.
What are the key properties of 2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene?
2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene has a molecular weight of 450.97 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 106880040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).