4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene

C16H15Br2F — CID 79436533

IUPAC4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene
SMILESCc1ccc(C(CBr)Cc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H15Br2F/c1-11-2-4-12(5-3-11)14(10-17)8-13-6-7-15(18)9-16(13)19/h2-7,9,14H,8,10H2,1H3
InChIKeyFLIKXHCCZBTEFZ-UHFFFAOYSA-N
MW386.10 g/mol
LogP5.62
Rot. Bonds4

About 4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene

4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene (PubChem CID 79436533) has the molecular formula C16H15Br2F and a molecular weight of 386.10 g/mol. Its IUPAC name is 4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene
PubChem CID79436533
Molecular FormulaC16H15Br2F
Molecular Weight386.10 g/mol
Exact Mass383.95
IUPAC Name4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene
SMILESCc1ccc(C(CBr)Cc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H15Br2F/c1-11-2-4-12(5-3-11)14(10-17)8-13-6-7-15(18)9-16(13)19/h2-7,9,14H,8,10H2,1H3
InChIKeyFLIKXHCCZBTEFZ-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.10
LogP ≤ 55.62
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

4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene
CID 79435639
3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 79436831
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 55095249
1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862057
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
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
1-bromo-2-[3-bromo-2-(4-methylphenyl)propyl]benzene
CID 79436524
2-[3-bromo-2-(4-methylphenyl)propyl]-1,3-difluorobenzene
CID 114934950
1-[3-bromo-2-(4-bromophenyl)propyl]-3,5-dimethylbenzene
CID 79434998
2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 62602021
2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
CID 104513020

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene (CID 79436533) is 4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene is Cc1ccc(C(CBr)Cc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene?
The InChIKey is FLIKXHCCZBTEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2F/c1-11-2-4-12(5-3-11)14(10-17)8-13-6-7-15(18)9-16(13)19/h2-7,9,14H,8,10H2,1H3.
What are the key properties of 4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene?
4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene has a molecular weight of 386.10 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene is sourced from PubChem (CID 79436533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).