4-ethoxy-N-fluorobutanamide

C6H12FNO2 — CID 59335519

IUPAC4-ethoxy-N-fluorobutanamide
SMILESCCOCCCC(=O)NF
InChIInChI=1S/C6H12FNO2/c1-2-10-5-3-4-6(9)8-7/h2-5H2,1H3,(H,8,9)
InChIKeyFBJYQKCTHJNOPJ-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.80
Rot. Bonds5

About 4-ethoxy-N-fluorobutanamide

4-ethoxy-N-fluorobutanamide (PubChem CID 59335519) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is 4-ethoxy-N-fluorobutanamide.

Molecular Properties

Compound Name4-ethoxy-N-fluorobutanamide
PubChem CID59335519
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name4-ethoxy-N-fluorobutanamide
SMILESCCOCCCC(=O)NF
InChIInChI=1S/C6H12FNO2/c1-2-10-5-3-4-6(9)8-7/h2-5H2,1H3,(H,8,9)
InChIKeyFBJYQKCTHJNOPJ-UHFFFAOYSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-fluorobutanamide?
The IUPAC name of 4-ethoxy-N-fluorobutanamide (CID 59335519) is 4-ethoxy-N-fluorobutanamide.
What is the SMILES notation for 4-ethoxy-N-fluorobutanamide?
The canonical SMILES for 4-ethoxy-N-fluorobutanamide is CCOCCCC(=O)NF.
What is the InChIKey of 4-ethoxy-N-fluorobutanamide?
The InChIKey is FBJYQKCTHJNOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-2-10-5-3-4-6(9)8-7/h2-5H2,1H3,(H,8,9).
What are the key properties of 4-ethoxy-N-fluorobutanamide?
4-ethoxy-N-fluorobutanamide has a molecular weight of 149.16 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-fluorobutanamide is sourced from PubChem (CID 59335519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).