2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene

C12H15Br2F — CID 79298230

IUPAC2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene
SMILESCC(C)C(Br)C(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H15Br2F/c1-7(2)12(14)8(3)9-4-5-11(15)10(13)6-9/h4-8,12H,1-3H3
InChIKeyGDIDUEYWVPPCOD-UHFFFAOYSA-N
MW338.06 g/mol
LogP5.11
Rot. Bonds3

About 2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene

2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene (PubChem CID 79298230) has the molecular formula C12H15Br2F and a molecular weight of 338.06 g/mol. Its IUPAC name is 2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene
PubChem CID79298230
Molecular FormulaC12H15Br2F
Molecular Weight338.06 g/mol
Exact Mass335.95
IUPAC Name2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene
SMILESCC(C)C(Br)C(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H15Br2F/c1-7(2)12(14)8(3)9-4-5-11(15)10(13)6-9/h4-8,12H,1-3H3
InChIKeyGDIDUEYWVPPCOD-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.06
LogP ≤ 55.11
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-4-(3-chlorobutan-2-yl)-1-fluorobenzene
CID 66471050
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N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
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1-(3-bromo-4-fluorophenyl)-3,4,4-trimethylpentan-1-ol
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2-bromo-4-(dichloromethyl)-1-fluorobenzene
CID 70539346
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CID 70906663
4-(3-bromo-4-fluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414114
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957
2-bromo-4-(1-bromopentyl)-1-fluorobenzene
CID 79742692
2-bromo-4-[bromo-(3-methylphenyl)methyl]-1-fluorobenzene
CID 79742867
1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979866
1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 43789444

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene (CID 79298230) is 2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene is CC(C)C(Br)C(C)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene?
The InChIKey is GDIDUEYWVPPCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2F/c1-7(2)12(14)8(3)9-4-5-11(15)10(13)6-9/h4-8,12H,1-3H3.
What are the key properties of 2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene?
2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene has a molecular weight of 338.06 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-bromo-4-methylpentan-2-yl)-1-fluorobenzene is sourced from PubChem (CID 79298230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).