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

C12H21F3N2O2 — CID 103983653

IUPAC2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCC1CCCCO1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-9(11(18)17-8-12(13,14)15)16-6-5-10-4-2-3-7-19-10/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyYFSGQODGLYRPJO-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.60
Rot. Bonds6

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

2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103983653) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103983653
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCC1CCCCO1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-9(11(18)17-8-12(13,14)15)16-6-5-10-4-2-3-7-19-10/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyYFSGQODGLYRPJO-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 103983653) is 2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCCC1CCCCO1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YFSGQODGLYRPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(11(18)17-8-12(13,14)15)16-6-5-10-4-2-3-7-19-10/h9-10,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103983653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).