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

C15H13Br2F — CID 63531593

IUPAC2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene
SMILESCc1cccc(CC(Br)c2ccc(F)cc2Br)c1
InChIInChI=1S/C15H13Br2F/c1-10-3-2-4-11(7-10)8-14(16)13-6-5-12(18)9-15(13)17/h2-7,9,14H,8H2,1H3
InChIKeyRQSQRFSYDCNMMN-UHFFFAOYSA-N
MW372.08 g/mol
LogP5.58
Rot. Bonds3

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

2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene (PubChem CID 63531593) has the molecular formula C15H13Br2F and a molecular weight of 372.08 g/mol. Its IUPAC name is 2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene
PubChem CID63531593
Molecular FormulaC15H13Br2F
Molecular Weight372.08 g/mol
Exact Mass369.94
IUPAC Name2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene
SMILESCc1cccc(CC(Br)c2ccc(F)cc2Br)c1
InChIInChI=1S/C15H13Br2F/c1-10-3-2-4-11(7-10)8-14(16)13-6-5-12(18)9-15(13)17/h2-7,9,14H,8H2,1H3
InChIKeyRQSQRFSYDCNMMN-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.08
LogP ≤ 55.58
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-(3-fluorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438442
2-bromo-1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-fluorobenzene
CID 63542273
2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene
CID 63531747
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 114020716
2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 63518826
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
CID 105088452
[1-(2-bromo-4-methylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285025
1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62539465
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970
2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene
CID 114025132
1-bromo-5-[1-bromo-2-(3-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103396441
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304292

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene (CID 63531593) is 2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene is Cc1cccc(CC(Br)c2ccc(F)cc2Br)c1.
What is the InChIKey of 2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene?
The InChIKey is RQSQRFSYDCNMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F/c1-10-3-2-4-11(7-10)8-14(16)13-6-5-12(18)9-15(13)17/h2-7,9,14H,8H2,1H3.
What are the key properties of 2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene?
2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene has a molecular weight of 372.08 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 63531593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).