11-bromo-1,1,1-trifluoroundecan-6-one

C11H18BrF3O — CID 125481301

IUPAC11-bromo-1,1,1-trifluoroundecan-6-one
SMILESO=C(CCCCCBr)CCCCC(F)(F)F
InChIInChI=1S/C11H18BrF3O/c12-9-5-1-2-6-10(16)7-3-4-8-11(13,14)15/h1-9H2
InChIKeyZMLVYIUDJYSKPR-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.63
Rot. Bonds9

About 11-bromo-1,1,1-trifluoroundecan-6-one

11-bromo-1,1,1-trifluoroundecan-6-one (PubChem CID 125481301) has the molecular formula C11H18BrF3O and a molecular weight of 303.16 g/mol. Its IUPAC name is 11-bromo-1,1,1-trifluoroundecan-6-one.

Molecular Properties

Compound Name11-bromo-1,1,1-trifluoroundecan-6-one
PubChem CID125481301
Molecular FormulaC11H18BrF3O
Molecular Weight303.16 g/mol
Exact Mass302.05
IUPAC Name11-bromo-1,1,1-trifluoroundecan-6-one
SMILESO=C(CCCCCBr)CCCCC(F)(F)F
InChIInChI=1S/C11H18BrF3O/c12-9-5-1-2-6-10(16)7-3-4-8-11(13,14)15/h1-9H2
InChIKeyZMLVYIUDJYSKPR-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 177335602
11,11,11-trifluoroundecane-4,6-dione
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1-cyclohexyl-17,17,17-trifluoroheptadecan-2-one
CID 70050399
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CID 106798772
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Frequently Asked Questions

What is the IUPAC name of 11-bromo-1,1,1-trifluoroundecan-6-one?
The IUPAC name of 11-bromo-1,1,1-trifluoroundecan-6-one (CID 125481301) is 11-bromo-1,1,1-trifluoroundecan-6-one.
What is the SMILES notation for 11-bromo-1,1,1-trifluoroundecan-6-one?
The canonical SMILES for 11-bromo-1,1,1-trifluoroundecan-6-one is O=C(CCCCCBr)CCCCC(F)(F)F.
What is the InChIKey of 11-bromo-1,1,1-trifluoroundecan-6-one?
The InChIKey is ZMLVYIUDJYSKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrF3O/c12-9-5-1-2-6-10(16)7-3-4-8-11(13,14)15/h1-9H2.
What are the key properties of 11-bromo-1,1,1-trifluoroundecan-6-one?
11-bromo-1,1,1-trifluoroundecan-6-one has a molecular weight of 303.16 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromo-1,1,1-trifluoroundecan-6-one is sourced from PubChem (CID 125481301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).