N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H19F3N2O2 — CID 113336677

IUPACN-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1(C)CC(NC(=O)CNCC(F)(F)F)CCO1
InChIInChI=1S/C11H19F3N2O2/c1-10(2)5-8(3-4-18-10)16-9(17)6-15-7-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyYEHUROJPHDRZCF-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.21
Rot. Bonds4

About N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113336677) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113336677
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1(C)CC(NC(=O)CNCC(F)(F)F)CCO1
InChIInChI=1S/C11H19F3N2O2/c1-10(2)5-8(3-4-18-10)16-9(17)6-15-7-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyYEHUROJPHDRZCF-UHFFFAOYSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 113336677) is N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is CC1(C)CC(NC(=O)CNCC(F)(F)F)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is YEHUROJPHDRZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2)5-8(3-4-18-10)16-9(17)6-15-7-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113336677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).