2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2O2 — CID 113411968

IUPAC2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCC1CCOC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-8(10(17)16-7-11(12,13)14)15-4-2-9-3-5-18-6-9/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyMRQRIHVIFUEAAE-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.07
Rot. Bonds6

About 2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 113411968) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID113411968
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCC1CCOC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-8(10(17)16-7-11(12,13)14)15-4-2-9-3-5-18-6-9/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyMRQRIHVIFUEAAE-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 113411968) is 2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCCC1CCOC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is MRQRIHVIFUEAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(10(17)16-7-11(12,13)14)15-4-2-9-3-5-18-6-9/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 268.28 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 113411968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).