2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide

C10H16F3NO3 — CID 103164605

IUPAC2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCCOC1CC(CC(=O)NOCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3/c1-2-16-8-3-7(4-8)5-9(15)14-17-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyLJBRPIYDUIYNOD-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.80
Rot. Bonds6

About 2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide

2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103164605) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103164605
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCCOC1CC(CC(=O)NOCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3/c1-2-16-8-3-7(4-8)5-9(15)14-17-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyLJBRPIYDUIYNOD-UHFFFAOYSA-N
XLogP1.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide (CID 103164605) is 2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide is CCOC1CC(CC(=O)NOCC(F)(F)F)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is LJBRPIYDUIYNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-2-16-8-3-7(4-8)5-9(15)14-17-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 255.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103164605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).