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

C11H21F2NO3 — CID 103209078

IUPAC3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCOCC(F)F
InChIInChI=1S/C11H21F2NO3/c1-3-11(16,4-2)8-14-10(15)5-6-17-7-9(12)13/h9,16H,3-8H2,1-2H3,(H,14,15)
InChIKeyMGOJAIJDRWABER-UHFFFAOYSA-N
MW253.29 g/mol
LogP1.33
Rot. Bonds9

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

3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide (PubChem CID 103209078) has the molecular formula C11H21F2NO3 and a molecular weight of 253.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
PubChem CID103209078
Molecular FormulaC11H21F2NO3
Molecular Weight253.29 g/mol
Exact Mass253.15
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCOCC(F)F
InChIInChI=1S/C11H21F2NO3/c1-3-11(16,4-2)8-14-10(15)5-6-17-7-9(12)13/h9,16H,3-8H2,1-2H3,(H,14,15)
InChIKeyMGOJAIJDRWABER-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 51.33
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 3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide (CID 103209078) is 3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide is CCC(O)(CC)CNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The InChIKey is MGOJAIJDRWABER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO3/c1-3-11(16,4-2)8-14-10(15)5-6-17-7-9(12)13/h9,16H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide?
3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide has a molecular weight of 253.29 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide is sourced from PubChem (CID 103209078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).