5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide

C15H24F3NO3 — CID 86779385

IUPAC5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC2CCCCC2OCC(F)(F)F)O1
InChIInChI=1S/C15H24F3NO3/c1-10-6-7-13(22-10)14(20)19-8-11-4-2-3-5-12(11)21-9-15(16,17)18/h10-13H,2-9H2,1H3,(H,19,20)
InChIKeyYWJKGAUZZKEJLW-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.81
Rot. Bonds5

About 5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide

5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide (PubChem CID 86779385) has the molecular formula C15H24F3NO3 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide
PubChem CID86779385
Molecular FormulaC15H24F3NO3
Molecular Weight323.36 g/mol
Exact Mass323.17
IUPAC Name5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC2CCCCC2OCC(F)(F)F)O1
InChIInChI=1S/C15H24F3NO3/c1-10-6-7-13(22-10)14(20)19-8-11-4-2-3-5-12(11)21-9-15(16,17)18/h10-13H,2-9H2,1H3,(H,19,20)
InChIKeyYWJKGAUZZKEJLW-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide (CID 86779385) is 5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide is CC1CCC(C(=O)NCC2CCCCC2OCC(F)(F)F)O1.
What is the InChIKey of 5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide?
The InChIKey is YWJKGAUZZKEJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO3/c1-10-6-7-13(22-10)14(20)19-8-11-4-2-3-5-12(11)21-9-15(16,17)18/h10-13H,2-9H2,1H3,(H,19,20).
What are the key properties of 5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide?
5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 86779385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).