N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H19F3N2O2 — CID 113258746

IUPACN-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H19F3N2O2/c1-8(9-2-4-18-5-3-9)16-10(17)6-15-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyPMKPQGGYFJUHKD-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.07
Rot. Bonds5

About N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113258746) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113258746
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H19F3N2O2/c1-8(9-2-4-18-5-3-9)16-10(17)6-15-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyPMKPQGGYFJUHKD-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 113258746) is N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(NC(=O)CNCC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is PMKPQGGYFJUHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(9-2-4-18-5-3-9)16-10(17)6-15-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113258746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).