2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O2 — CID 103768071

IUPAC2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(C)C1CCOCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-8(10-3-5-19-6-4-10)17-9(2)11(18)16-7-12(13,14)15/h8-10,17H,3-7H2,1-2H3,(H,16,18)
InChIKeyVDDCGPMCRGSLLI-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.46
Rot. Bonds5

About 2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103768071) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103768071
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(C)C1CCOCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-8(10-3-5-19-6-4-10)17-9(2)11(18)16-7-12(13,14)15/h8-10,17H,3-7H2,1-2H3,(H,16,18)
InChIKeyVDDCGPMCRGSLLI-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 103768071) is 2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NC(C)C1CCOCC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is VDDCGPMCRGSLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8(10-3-5-19-6-4-10)17-9(2)11(18)16-7-12(13,14)15/h8-10,17H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103768071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).