2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene

C16H14Br2F2 — CID 66042131

IUPAC2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(CC(CBr)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H14Br2F2/c17-10-12(6-11-2-1-3-14(18)8-11)7-13-9-15(19)4-5-16(13)20/h1-5,8-9,12H,6-7,10H2
InChIKeyRAEQFPZUJFFMBG-UHFFFAOYSA-N
MW404.09 g/mol
LogP5.52
Rot. Bonds5

About 2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene

2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene (PubChem CID 66042131) has the molecular formula C16H14Br2F2 and a molecular weight of 404.09 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene
PubChem CID66042131
Molecular FormulaC16H14Br2F2
Molecular Weight404.09 g/mol
Exact Mass401.94
IUPAC Name2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(CC(CBr)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H14Br2F2/c17-10-12(6-11-2-1-3-14(18)8-11)7-13-9-15(19)4-5-16(13)20/h1-5,8-9,12H,6-7,10H2
InChIKeyRAEQFPZUJFFMBG-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.09
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-4-fluorobenzene
CID 66041927
2-[(3-bromophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516635
2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene
CID 79453351
[1-(3-bromophenyl)-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105202692
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610
1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene
CID 66041720
4-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-2-fluoro-1-methoxybenzene
CID 66043530
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
4-bromo-2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1-methoxybenzene
CID 66041326
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049659
2-[(3-bromophenyl)methyl]-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
CID 62516122
2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
CID 66059292

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene?
The IUPAC name of 2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene (CID 66042131) is 2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene is Fc1ccc(F)c(CC(CBr)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene?
The InChIKey is RAEQFPZUJFFMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2F2/c17-10-12(6-11-2-1-3-14(18)8-11)7-13-9-15(19)4-5-16(13)20/h1-5,8-9,12H,6-7,10H2.
What are the key properties of 2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene?
2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene has a molecular weight of 404.09 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene is sourced from PubChem (CID 66042131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).