N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide

C11H20F3NO3 — CID 79382213

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-4-15(7-10(2,3)17)9(16)5-6-18-8-11(12,13)14/h17H,4-8H2,1-3H3
InChIKeyVUQCHIMUCIXQQJ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.57
Rot. Bonds7

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 79382213) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID79382213
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-4-15(7-10(2,3)17)9(16)5-6-18-8-11(12,13)14/h17H,4-8H2,1-3H3
InChIKeyVUQCHIMUCIXQQJ-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 79382213) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide is CCN(CC(C)(C)O)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is VUQCHIMUCIXQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-4-15(7-10(2,3)17)9(16)5-6-18-8-11(12,13)14/h17H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 271.28 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 79382213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).