1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene

C10H11BrClF — CID 102863780

IUPAC1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene
SMILESCC(CBr)Cc1cccc(Cl)c1F
InChIInChI=1S/C10H11BrClF/c1-7(6-11)5-8-3-2-4-9(12)10(8)13/h2-4,7H,5-6H2,1H3
InChIKeyGVFGVSIVXONZPC-UHFFFAOYSA-N
MW265.55 g/mol
LogP4.05
Rot. Bonds3

About 1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene

1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene (PubChem CID 102863780) has the molecular formula C10H11BrClF and a molecular weight of 265.55 g/mol. Its IUPAC name is 1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene
PubChem CID102863780
Molecular FormulaC10H11BrClF
Molecular Weight265.55 g/mol
Exact Mass263.97
IUPAC Name1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene
SMILESCC(CBr)Cc1cccc(Cl)c1F
InChIInChI=1S/C10H11BrClF/c1-7(6-11)5-8-3-2-4-9(12)10(8)13/h2-4,7H,5-6H2,1H3
InChIKeyGVFGVSIVXONZPC-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.55
LogP ≤ 54.05
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

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1-(3-chloro-2-fluorophenyl)-4-methylheptan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene?
The IUPAC name of 1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene (CID 102863780) is 1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene.
What is the SMILES notation for 1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene?
The canonical SMILES for 1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene is CC(CBr)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene?
The InChIKey is GVFGVSIVXONZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF/c1-7(6-11)5-8-3-2-4-9(12)10(8)13/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene?
1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene has a molecular weight of 265.55 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene is sourced from PubChem (CID 102863780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).