5-cyclohexyl-1,1,1-trifluoropentan-2-one

C11H17F3O — CID 86203039

IUPAC5-cyclohexyl-1,1,1-trifluoropentan-2-one
SMILESO=C(CCCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3O/c12-11(13,14)10(15)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2
InChIKeyAIUFQUIWJSRDLM-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.87
Rot. Bonds4

About 5-cyclohexyl-1,1,1-trifluoropentan-2-one

5-cyclohexyl-1,1,1-trifluoropentan-2-one (PubChem CID 86203039) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-cyclohexyl-1,1,1-trifluoropentan-2-one.

Molecular Properties

Compound Name5-cyclohexyl-1,1,1-trifluoropentan-2-one
PubChem CID86203039
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name5-cyclohexyl-1,1,1-trifluoropentan-2-one
SMILESO=C(CCCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3O/c12-11(13,14)10(15)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2
InChIKeyAIUFQUIWJSRDLM-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,1,1-trifluoropentan-2-one?
The IUPAC name of 5-cyclohexyl-1,1,1-trifluoropentan-2-one (CID 86203039) is 5-cyclohexyl-1,1,1-trifluoropentan-2-one.
What is the SMILES notation for 5-cyclohexyl-1,1,1-trifluoropentan-2-one?
The canonical SMILES for 5-cyclohexyl-1,1,1-trifluoropentan-2-one is O=C(CCCC1CCCCC1)C(F)(F)F.
What is the InChIKey of 5-cyclohexyl-1,1,1-trifluoropentan-2-one?
The InChIKey is AIUFQUIWJSRDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O/c12-11(13,14)10(15)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2.
What are the key properties of 5-cyclohexyl-1,1,1-trifluoropentan-2-one?
5-cyclohexyl-1,1,1-trifluoropentan-2-one has a molecular weight of 222.25 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,1,1-trifluoropentan-2-one is sourced from PubChem (CID 86203039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).