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

C11H19F2NO3 — CID 103270497

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCC(F)(F)CO)C1
InChIInChI=1S/C11H19F2NO3/c1-2-17-9-3-8(4-9)5-10(16)14-6-11(12,13)7-15/h8-9,15H,2-7H2,1H3,(H,14,16)
InChIKeyWBUBRDRCKYDJJJ-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.94
Rot. Bonds7

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

N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103270497) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103270497
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCC(F)(F)CO)C1
InChIInChI=1S/C11H19F2NO3/c1-2-17-9-3-8(4-9)5-10(16)14-6-11(12,13)7-15/h8-9,15H,2-7H2,1H3,(H,14,16)
InChIKeyWBUBRDRCKYDJJJ-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide (CID 103270497) is N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NCC(F)(F)CO)C1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is WBUBRDRCKYDJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-2-17-9-3-8(4-9)5-10(16)14-6-11(12,13)7-15/h8-9,15H,2-7H2,1H3,(H,14,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 251.27 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103270497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).