1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene

C15H13Br2F — CID 63441756

IUPAC1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
SMILESCc1ccc(C)c(C(Br)c2cc(F)ccc2Br)c1
InChIInChI=1S/C15H13Br2F/c1-9-3-4-10(2)12(7-9)15(17)13-8-11(18)5-6-14(13)16/h3-8,15H,1-2H3
InChIKeyINNUOTCQQHHMTD-UHFFFAOYSA-N
MW372.08 g/mol
LogP5.69
Rot. Bonds2

About 1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene

1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene (PubChem CID 63441756) has the molecular formula C15H13Br2F and a molecular weight of 372.08 g/mol. Its IUPAC name is 1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
PubChem CID63441756
Molecular FormulaC15H13Br2F
Molecular Weight372.08 g/mol
Exact Mass369.94
IUPAC Name1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
SMILESCc1ccc(C)c(C(Br)c2cc(F)ccc2Br)c1
InChIInChI=1S/C15H13Br2F/c1-9-3-4-10(2)12(7-9)15(17)13-8-11(18)5-6-14(13)16/h3-8,15H,1-2H3
InChIKeyINNUOTCQQHHMTD-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.08
LogP ≤ 55.69
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-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene
CID 79590900
2-[bromo-(2-bromo-5-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879985
1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304191
1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene
CID 107958460
1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene
CID 63438862
1-bromo-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
2-[bromo-(2-bromo-5-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 81112447
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61015592
1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63527626
5-bromo-6-[bromo-(2,5-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63447590
2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluoroaniline
CID 43119372

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene (CID 63441756) is 1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene is Cc1ccc(C)c(C(Br)c2cc(F)ccc2Br)c1.
What is the InChIKey of 1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene?
The InChIKey is INNUOTCQQHHMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F/c1-9-3-4-10(2)12(7-9)15(17)13-8-11(18)5-6-14(13)16/h3-8,15H,1-2H3.
What are the key properties of 1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene?
1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene has a molecular weight of 372.08 g/mol, XLogP of 5.69, 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-(2,5-dimethylphenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 63441756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).