2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C11H18F3NO3 — CID 103279654

IUPAC2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCCOC1CC(CC(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-2-18-8-3-7(4-8)5-10(17)15-6-9(16)11(12,13)14/h7-9,16H,2-6H2,1H3,(H,15,17)
InChIKeyLQADCEXYJHXHTP-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.23
Rot. Bonds6

About 2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103279654) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103279654
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCCOC1CC(CC(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-2-18-8-3-7(4-8)5-10(17)15-6-9(16)11(12,13)14/h7-9,16H,2-6H2,1H3,(H,15,17)
InChIKeyLQADCEXYJHXHTP-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103279654) is 2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is CCOC1CC(CC(=O)NCC(O)C(F)(F)F)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is LQADCEXYJHXHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-2-18-8-3-7(4-8)5-10(17)15-6-9(16)11(12,13)14/h7-9,16H,2-6H2,1H3,(H,15,17).
What are the key properties of 2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 269.26 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103279654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).