3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide

C9H17F2NO3 — CID 11075078

IUPAC3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide
SMILESCCOC(O)C(F)(F)C(=O)N(CC)CC
InChIInChI=1S/C9H17F2NO3/c1-4-12(5-2)7(13)9(10,11)8(14)15-6-3/h8,14H,4-6H2,1-3H3
InChIKeyHRFMSULJAAPDIN-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.85
Rot. Bonds6

About 3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide

3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide (PubChem CID 11075078) has the molecular formula C9H17F2NO3 and a molecular weight of 225.23 g/mol. Its IUPAC name is 3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide.

Molecular Properties

Compound Name3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide
PubChem CID11075078
Molecular FormulaC9H17F2NO3
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC Name3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide
SMILESCCOC(O)C(F)(F)C(=O)N(CC)CC
InChIInChI=1S/C9H17F2NO3/c1-4-12(5-2)7(13)9(10,11)8(14)15-6-3/h8,14H,4-6H2,1-3H3
InChIKeyHRFMSULJAAPDIN-UHFFFAOYSA-N
XLogP0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide?
The IUPAC name of 3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide (CID 11075078) is 3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide.
What is the SMILES notation for 3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide?
The canonical SMILES for 3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide is CCOC(O)C(F)(F)C(=O)N(CC)CC.
What is the InChIKey of 3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide?
The InChIKey is HRFMSULJAAPDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO3/c1-4-12(5-2)7(13)9(10,11)8(14)15-6-3/h8,14H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide?
3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide has a molecular weight of 225.23 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-diethyl-2,2-difluoro-3-hydroxypropanamide is sourced from PubChem (CID 11075078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).