N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide

C9H15F2NO3 — CID 103082338

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCOCC(F)F
InChIInChI=1S/C9H15F2NO3/c1-7(13)2-3-9(14)12-4-5-15-6-8(10)11/h8H,2-6H2,1H3,(H,12,14)
InChIKeyJNYCANCFPQGYPE-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.75
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide

N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide (PubChem CID 103082338) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide
PubChem CID103082338
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCOCC(F)F
InChIInChI=1S/C9H15F2NO3/c1-7(13)2-3-9(14)12-4-5-15-6-8(10)11/h8H,2-6H2,1H3,(H,12,14)
InChIKeyJNYCANCFPQGYPE-UHFFFAOYSA-N
XLogP0.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
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 N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide (CID 103082338) is N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide is CC(=O)CCC(=O)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide?
The InChIKey is JNYCANCFPQGYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-7(13)2-3-9(14)12-4-5-15-6-8(10)11/h8H,2-6H2,1H3,(H,12,14).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide?
N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide has a molecular weight of 223.22 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4-oxopentanamide is sourced from PubChem (CID 103082338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).