1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene

C15H12Br2ClF — CID 81472720

IUPAC1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene
SMILESCc1cc(Br)c(C(Cl)Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H12Br2ClF/c1-9-6-14(17)12(8-13(9)16)15(18)7-10-2-4-11(19)5-3-10/h2-6,8,15H,7H2,1H3
InChIKeyIWUQCXBHAKHVSQ-UHFFFAOYSA-N
MW406.52 g/mol
LogP6.18
Rot. Bonds3

About 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene

1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene (PubChem CID 81472720) has the molecular formula C15H12Br2ClF and a molecular weight of 406.52 g/mol. Its IUPAC name is 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene.

Molecular Properties

Compound Name1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene
PubChem CID81472720
Molecular FormulaC15H12Br2ClF
Molecular Weight406.52 g/mol
Exact Mass403.90
IUPAC Name1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene
SMILESCc1cc(Br)c(C(Cl)Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H12Br2ClF/c1-9-6-14(17)12(8-13(9)16)15(18)7-10-2-4-11(19)5-3-10/h2-6,8,15H,7H2,1H3
InChIKeyIWUQCXBHAKHVSQ-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 56.18
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-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
CID 81473232
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
CID 63429264
1,4-dibromo-2-[1-chloro-2-(3-methoxyphenyl)ethyl]-5-methylbenzene
CID 81474199
1,4-dibromo-2-[chloro-(2-chloro-4-fluorophenyl)methyl]-5-methylbenzene
CID 81472723
1,4-dibromo-2-[chloro-(3,5-difluorophenyl)methyl]-5-methylbenzene
CID 81473564
3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene
CID 63432678
1,4-dibromo-2-[chloro-(3-fluorophenyl)methyl]-5-methylbenzene
CID 81473803
1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81473177
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
CID 63544548
1,4-dibromo-2-(1-chloropentyl)-5-methylbenzene
CID 81473878
1,4-dibromo-2-[(4-bromo-3-fluorophenyl)-chloromethyl]-5-methylbenzene
CID 81474193

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene?
The IUPAC name of 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene (CID 81472720) is 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene.
What is the SMILES notation for 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene?
The canonical SMILES for 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene is Cc1cc(Br)c(C(Cl)Cc2ccc(F)cc2)cc1Br.
What is the InChIKey of 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene?
The InChIKey is IWUQCXBHAKHVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClF/c1-9-6-14(17)12(8-13(9)16)15(18)7-10-2-4-11(19)5-3-10/h2-6,8,15H,7H2,1H3.
What are the key properties of 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene?
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene has a molecular weight of 406.52 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene is sourced from PubChem (CID 81472720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).