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

C14H11Br2F — CID 63437045

IUPAC1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene
SMILESCc1ccc(C(Br)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C14H11Br2F/c1-9-2-4-10(5-3-9)14(16)11-6-7-12(15)13(17)8-11/h2-8,14H,1H3
InChIKeyYLBIEIVBVDGRGW-UHFFFAOYSA-N
MW358.05 g/mol
LogP5.38
Rot. Bonds2

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

1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene (PubChem CID 63437045) has the molecular formula C14H11Br2F and a molecular weight of 358.05 g/mol. Its IUPAC name is 1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene
PubChem CID63437045
Molecular FormulaC14H11Br2F
Molecular Weight358.05 g/mol
Exact Mass355.92
IUPAC Name1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene
SMILESCc1ccc(C(Br)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C14H11Br2F/c1-9-2-4-10(5-3-9)14(16)11-6-7-12(15)13(17)8-11/h2-8,14H,1H3
InChIKeyYLBIEIVBVDGRGW-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.05
LogP ≤ 55.38
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-3-fluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63438166
1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene
CID 63442700
1-bromo-4-[bromo-(4-propan-2-yloxyphenyl)methyl]-2-fluorobenzene
CID 63441116
1-bromo-4-[bromo-(2-methoxy-5-methylphenyl)methyl]-2-fluorobenzene
CID 63443676
1-bromo-4-[bromo-(3,4-diethylphenyl)methyl]-2-fluorobenzene
CID 115483032
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene
CID 107991616
6-[bromo-(4-bromo-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439086
2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 81440633
1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63437391
1-bromo-4-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluorobenzene
CID 63439016
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
CID 63435883
4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene
CID 55199317

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene (CID 63437045) is 1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene is Cc1ccc(C(Br)c2ccc(Br)c(F)c2)cc1.
What is the InChIKey of 1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene?
The InChIKey is YLBIEIVBVDGRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F/c1-9-2-4-10(5-3-9)14(16)11-6-7-12(15)13(17)8-11/h2-8,14H,1H3.
What are the key properties of 1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene?
1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene has a molecular weight of 358.05 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 63437045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).