2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2O3 — CID 106100937

IUPAC2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1(O)CCOC1C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-7(9(17)16-6-11(12,13)14)15-5-10(18)3-4-19-8(10)2/h7-8,15,18H,3-6H2,1-2H3,(H,16,17)
InChIKeyDDZREFPIBNBKFU-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.18
Rot. Bonds5

About 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106100937) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106100937
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1(O)CCOC1C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-7(9(17)16-6-11(12,13)14)15-5-10(18)3-4-19-8(10)2/h7-8,15,18H,3-6H2,1-2H3,(H,16,17)
InChIKeyDDZREFPIBNBKFU-UHFFFAOYSA-N
XLogP0.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106100937) is 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC1(O)CCOC1C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is DDZREFPIBNBKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-7(9(17)16-6-11(12,13)14)15-5-10(18)3-4-19-8(10)2/h7-8,15,18H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 284.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106100937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).