5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide

C11H17F4NO3 — CID 178078160

IUPAC5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide
SMILESCCOCC(=O)CCC(=O)NCCC(F)(F)C(F)F
InChIInChI=1S/C11H17F4NO3/c1-2-19-7-8(17)3-4-9(18)16-6-5-11(14,15)10(12)13/h10H,2-7H2,1H3,(H,16,18)
InChIKeyYVGUPGUIPICYQD-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.78
Rot. Bonds10

About 5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide

5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide (PubChem CID 178078160) has the molecular formula C11H17F4NO3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide.

Molecular Properties

Compound Name5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide
PubChem CID178078160
Molecular FormulaC11H17F4NO3
Molecular Weight287.25 g/mol
Exact Mass287.11
IUPAC Name5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide
SMILESCCOCC(=O)CCC(=O)NCCC(F)(F)C(F)F
InChIInChI=1S/C11H17F4NO3/c1-2-19-7-8(17)3-4-9(18)16-6-5-11(14,15)10(12)13/h10H,2-7H2,1H3,(H,16,18)
InChIKeyYVGUPGUIPICYQD-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide?
The IUPAC name of 5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide (CID 178078160) is 5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide.
What is the SMILES notation for 5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide?
The canonical SMILES for 5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide is CCOCC(=O)CCC(=O)NCCC(F)(F)C(F)F.
What is the InChIKey of 5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide?
The InChIKey is YVGUPGUIPICYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO3/c1-2-19-7-8(17)3-4-9(18)16-6-5-11(14,15)10(12)13/h10H,2-7H2,1H3,(H,16,18).
What are the key properties of 5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide?
5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide has a molecular weight of 287.25 g/mol, XLogP of 1.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide is sourced from PubChem (CID 178078160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).