1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene

C15H12Br2ClF — CID 79454251

IUPAC1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene
SMILESFc1ccc(Br)c(CC(CCl)c2ccccc2Br)c1
InChIInChI=1S/C15H12Br2ClF/c16-14-6-5-12(19)8-10(14)7-11(9-18)13-3-1-2-4-15(13)17/h1-6,8,11H,7,9H2
InChIKeyRNAKYLTUKJVVKZ-UHFFFAOYSA-N
MW406.52 g/mol
LogP5.92
Rot. Bonds4

About 1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene

1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene (PubChem CID 79454251) has the molecular formula C15H12Br2ClF and a molecular weight of 406.52 g/mol. Its IUPAC name is 1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene
PubChem CID79454251
Molecular FormulaC15H12Br2ClF
Molecular Weight406.52 g/mol
Exact Mass403.90
IUPAC Name1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene
SMILESFc1ccc(Br)c(CC(CCl)c2ccccc2Br)c1
InChIInChI=1S/C15H12Br2ClF/c16-14-6-5-12(19)8-10(14)7-11(9-18)13-3-1-2-4-15(13)17/h1-6,8,11H,7,9H2
InChIKeyRNAKYLTUKJVVKZ-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 55.92
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

2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene
CID 79419241
2-chloro-1-[3-chloro-2-(2-chlorophenyl)propyl]-4-fluorobenzene
CID 79455239
1-bromo-2-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-4-fluorobenzene
CID 66041556
1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843513
2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]-1,4-difluorobenzene
CID 66048611
2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene
CID 79454612
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine
CID 79448852
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
1-bromo-2-[1-chloro-3-(3-chlorophenyl)propan-2-yl]benzene
CID 79454332
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79436328
2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 79438173
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene (CID 79454251) is 1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene is Fc1ccc(Br)c(CC(CCl)c2ccccc2Br)c1.
What is the InChIKey of 1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene?
The InChIKey is RNAKYLTUKJVVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClF/c16-14-6-5-12(19)8-10(14)7-11(9-18)13-3-1-2-4-15(13)17/h1-6,8,11H,7,9H2.
What are the key properties of 1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene?
1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene has a molecular weight of 406.52 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene is sourced from PubChem (CID 79454251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).