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

C12H13F3O2 — CID 58066423

IUPAC6-cyclohexyl-4-(trifluoromethyl)pyran-2-one
SMILESO=c1cc(C(F)(F)F)cc(C2CCCCC2)o1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)9-6-10(17-11(16)7-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyVGZKUUOMAJWTKA-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.71
Rot. Bonds1

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

6-cyclohexyl-4-(trifluoromethyl)pyran-2-one (PubChem CID 58066423) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-cyclohexyl-4-(trifluoromethyl)pyran-2-one.

Molecular Properties

Compound Name6-cyclohexyl-4-(trifluoromethyl)pyran-2-one
PubChem CID58066423
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name6-cyclohexyl-4-(trifluoromethyl)pyran-2-one
SMILESO=c1cc(C(F)(F)F)cc(C2CCCCC2)o1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)9-6-10(17-11(16)7-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyVGZKUUOMAJWTKA-UHFFFAOYSA-N
XLogP3.71
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-(trifluoromethyl)pyran-2-one?
The IUPAC name of 6-cyclohexyl-4-(trifluoromethyl)pyran-2-one (CID 58066423) is 6-cyclohexyl-4-(trifluoromethyl)pyran-2-one.
What is the SMILES notation for 6-cyclohexyl-4-(trifluoromethyl)pyran-2-one?
The canonical SMILES for 6-cyclohexyl-4-(trifluoromethyl)pyran-2-one is O=c1cc(C(F)(F)F)cc(C2CCCCC2)o1.
What is the InChIKey of 6-cyclohexyl-4-(trifluoromethyl)pyran-2-one?
The InChIKey is VGZKUUOMAJWTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c13-12(14,15)9-6-10(17-11(16)7-9)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 6-cyclohexyl-4-(trifluoromethyl)pyran-2-one?
6-cyclohexyl-4-(trifluoromethyl)pyran-2-one has a molecular weight of 246.23 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-(trifluoromethyl)pyran-2-one is sourced from PubChem (CID 58066423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).