1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene

C15H12Br2F2 — CID 79730434

IUPAC1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene
SMILESCc1cc(C(Br)Cc2ccc(Br)cc2)c(F)cc1F
InChIInChI=1S/C15H12Br2F2/c1-9-6-12(15(19)8-14(9)18)13(17)7-10-2-4-11(16)5-3-10/h2-6,8,13H,7H2,1H3
InChIKeyKHTCPHHQHLGIQP-UHFFFAOYSA-N
MW390.07 g/mol
LogP5.71
Rot. Bonds3

About 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene

1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene (PubChem CID 79730434) has the molecular formula C15H12Br2F2 and a molecular weight of 390.07 g/mol. Its IUPAC name is 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene
PubChem CID79730434
Molecular FormulaC15H12Br2F2
Molecular Weight390.07 g/mol
Exact Mass387.93
IUPAC Name1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene
SMILESCc1cc(C(Br)Cc2ccc(Br)cc2)c(F)cc1F
InChIInChI=1S/C15H12Br2F2/c1-9-6-12(15(19)8-14(9)18)13(17)7-10-2-4-11(16)5-3-10/h2-6,8,13H,7H2,1H3
InChIKeyKHTCPHHQHLGIQP-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.07
LogP ≤ 55.71
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-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304095
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
CID 81045980
4-bromo-2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-1-fluorobenzene
CID 63544125
3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran
CID 63543444
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 114020716
1-(2,4-difluoro-5-methylphenyl)-2-phenylethanol
CID 79731266
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050200
2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115839081
1-(1-bromooctyl)-2,4-difluoro-5-methylbenzene
CID 79731208

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene?
The IUPAC name of 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene (CID 79730434) is 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene.
What is the SMILES notation for 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene?
The canonical SMILES for 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene is Cc1cc(C(Br)Cc2ccc(Br)cc2)c(F)cc1F.
What is the InChIKey of 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene?
The InChIKey is KHTCPHHQHLGIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F2/c1-9-6-12(15(19)8-14(9)18)13(17)7-10-2-4-11(16)5-3-10/h2-6,8,13H,7H2,1H3.
What are the key properties of 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene?
1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene has a molecular weight of 390.07 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene is sourced from PubChem (CID 79730434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).