2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

C13H22F3NO3 — CID 115593381

IUPAC2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESCC(C)OCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO3/c1-9(2)19-7-12(18)17-10-4-3-5-11(6-10)20-8-13(14,15)16/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyKZMAJFXXGFMAFO-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.42
Rot. Bonds6

About 2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (PubChem CID 115593381) has the molecular formula C13H22F3NO3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
PubChem CID115593381
Molecular FormulaC13H22F3NO3
Molecular Weight297.32 g/mol
Exact Mass297.16
IUPAC Name2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESCC(C)OCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO3/c1-9(2)19-7-12(18)17-10-4-3-5-11(6-10)20-8-13(14,15)16/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyKZMAJFXXGFMAFO-UHFFFAOYSA-N
XLogP2.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The IUPAC name of 2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (CID 115593381) is 2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The canonical SMILES for 2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is CC(C)OCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The InChIKey is KZMAJFXXGFMAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3/c1-9(2)19-7-12(18)17-10-4-3-5-11(6-10)20-8-13(14,15)16/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide has a molecular weight of 297.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is sourced from PubChem (CID 115593381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).