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

C15H12Br2ClF — CID 79433512

IUPAC4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1CC(CCl)c1cccc(Br)c1
InChIInChI=1S/C15H12Br2ClF/c16-13-3-1-2-10(7-13)12(9-18)6-11-4-5-14(17)8-15(11)19/h1-5,7-8,12H,6,9H2
InChIKeyWRIUNOXMRSEUIS-UHFFFAOYSA-N
MW406.52 g/mol
LogP5.92
Rot. Bonds4

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

4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene (PubChem CID 79433512) has the molecular formula C15H12Br2ClF and a molecular weight of 406.52 g/mol. Its IUPAC name is 4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene
PubChem CID79433512
Molecular FormulaC15H12Br2ClF
Molecular Weight406.52 g/mol
Exact Mass403.90
IUPAC Name4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1CC(CCl)c1cccc(Br)c1
InChIInChI=1S/C15H12Br2ClF/c16-13-3-1-2-10(7-13)12(9-18)6-11-4-5-14(17)8-15(11)19/h1-5,7-8,12H,6,9H2
InChIKeyWRIUNOXMRSEUIS-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

1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 79432007
4-bromo-2-[2-(3-bromophenyl)-3-chloropropyl]-1-fluorobenzene
CID 79431234
4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene
CID 79433235
2-(3-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114858847
1-bromo-3-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79430597
4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene
CID 79435639
2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 62602021
[2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane
CID 106324242
3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438236
4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
CID 55186986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene (CID 79433512) is 4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene is Fc1cc(Br)ccc1CC(CCl)c1cccc(Br)c1.
What is the InChIKey of 4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene?
The InChIKey is WRIUNOXMRSEUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClF/c16-13-3-1-2-10(7-13)12(9-18)6-11-4-5-14(17)8-15(11)19/h1-5,7-8,12H,6,9H2.
What are the key properties of 4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene?
4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-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 4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene is sourced from PubChem (CID 79433512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).