N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide

C11H20F3NO3 — CID 65112688

IUPACN-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(O)(CC)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-3-10(17,4-2)7-15-9(16)5-6-18-8-11(12,13)14/h17H,3-8H2,1-2H3,(H,15,16)
InChIKeyMBBLYDAMNPZXGZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.62
Rot. Bonds8

About N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 65112688) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID65112688
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(O)(CC)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-3-10(17,4-2)7-15-9(16)5-6-18-8-11(12,13)14/h17H,3-8H2,1-2H3,(H,15,16)
InChIKeyMBBLYDAMNPZXGZ-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
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-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 65112688) is N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide is CCC(O)(CC)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is MBBLYDAMNPZXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-3-10(17,4-2)7-15-9(16)5-6-18-8-11(12,13)14/h17H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 271.28 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 65112688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).