5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide

C10H18FNO3 — CID 171557105

IUPAC5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide
SMILESCC(C)OCCNC(=O)CCC(=O)CF
InChIInChI=1S/C10H18FNO3/c1-8(2)15-6-5-12-10(14)4-3-9(13)7-11/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyAOWCBLPLQZHBBI-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.85
Rot. Bonds8

About 5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide

5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide (PubChem CID 171557105) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide.

Molecular Properties

Compound Name5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide
PubChem CID171557105
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide
SMILESCC(C)OCCNC(=O)CCC(=O)CF
InChIInChI=1S/C10H18FNO3/c1-8(2)15-6-5-12-10(14)4-3-9(13)7-11/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyAOWCBLPLQZHBBI-UHFFFAOYSA-N
XLogP0.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.85
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 5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide?
The IUPAC name of 5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide (CID 171557105) is 5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide.
What is the SMILES notation for 5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide?
The canonical SMILES for 5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide is CC(C)OCCNC(=O)CCC(=O)CF.
What is the InChIKey of 5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide?
The InChIKey is AOWCBLPLQZHBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-8(2)15-6-5-12-10(14)4-3-9(13)7-11/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide?
5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide has a molecular weight of 219.26 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-oxo-N-(2-propan-2-yloxyethyl)pentanamide is sourced from PubChem (CID 171557105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).