4-bromo-2-fluoro-1-nonan-5-ylbenzene

C15H22BrF — CID 178088907

IUPAC4-bromo-2-fluoro-1-nonan-5-ylbenzene
SMILESCCCCC(CCCC)c1ccc(Br)cc1F
InChIInChI=1S/C15H22BrF/c1-3-5-7-12(8-6-4-2)14-10-9-13(16)11-15(14)17/h9-12H,3-8H2,1-2H3
InChIKeyXAIVBLOZVANSEW-UHFFFAOYSA-N
MW301.24 g/mol
LogP6.05
Rot. Bonds7

About 4-bromo-2-fluoro-1-nonan-5-ylbenzene

4-bromo-2-fluoro-1-nonan-5-ylbenzene (PubChem CID 178088907) has the molecular formula C15H22BrF and a molecular weight of 301.24 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-nonan-5-ylbenzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-nonan-5-ylbenzene
PubChem CID178088907
Molecular FormulaC15H22BrF
Molecular Weight301.24 g/mol
Exact Mass300.09
IUPAC Name4-bromo-2-fluoro-1-nonan-5-ylbenzene
SMILESCCCCC(CCCC)c1ccc(Br)cc1F
InChIInChI=1S/C15H22BrF/c1-3-5-7-12(8-6-4-2)14-10-9-13(16)11-15(14)17/h9-12H,3-8H2,1-2H3
InChIKeyXAIVBLOZVANSEW-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.24
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-nonan-5-ylbenzene?
The IUPAC name of 4-bromo-2-fluoro-1-nonan-5-ylbenzene (CID 178088907) is 4-bromo-2-fluoro-1-nonan-5-ylbenzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-nonan-5-ylbenzene?
The canonical SMILES for 4-bromo-2-fluoro-1-nonan-5-ylbenzene is CCCCC(CCCC)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-nonan-5-ylbenzene?
The InChIKey is XAIVBLOZVANSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF/c1-3-5-7-12(8-6-4-2)14-10-9-13(16)11-15(14)17/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-bromo-2-fluoro-1-nonan-5-ylbenzene?
4-bromo-2-fluoro-1-nonan-5-ylbenzene has a molecular weight of 301.24 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-nonan-5-ylbenzene is sourced from PubChem (CID 178088907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).