6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one

C13H15F3O2 — CID 58066424

IUPAC6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one
SMILESCc1c(C(F)(F)F)cc(=O)oc1C1CCCCC1
InChIInChI=1S/C13H15F3O2/c1-8-10(13(14,15)16)7-11(17)18-12(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyIQGVGZNPQXCAJP-UHFFFAOYSA-N
MW260.25 g/mol
LogP4.01
Rot. Bonds1

About 6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one

6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one (PubChem CID 58066424) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one.

Molecular Properties

Compound Name6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one
PubChem CID58066424
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one
SMILESCc1c(C(F)(F)F)cc(=O)oc1C1CCCCC1
InChIInChI=1S/C13H15F3O2/c1-8-10(13(14,15)16)7-11(17)18-12(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyIQGVGZNPQXCAJP-UHFFFAOYSA-N
XLogP4.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one?
The IUPAC name of 6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one (CID 58066424) is 6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one.
What is the SMILES notation for 6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one?
The canonical SMILES for 6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one is Cc1c(C(F)(F)F)cc(=O)oc1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one?
The InChIKey is IQGVGZNPQXCAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-8-10(13(14,15)16)7-11(17)18-12(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one?
6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one has a molecular weight of 260.25 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-methyl-4-(trifluoromethyl)pyran-2-one is sourced from PubChem (CID 58066424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).