4-ethoxy-N-fluorobutanamide;molecular fluorine

C6H12F9NO2 — CID 90788571

IUPAC4-ethoxy-N-fluorobutanamide;molecular fluorine
SMILESCCOCCCC(=O)NF.FF.FF.FF.FF
InChIInChI=1S/C6H12FNO2.4F2/c1-2-10-5-3-4-6(9)8-7;4*1-2/h2-5H2,1H3,(H,8,9);;;;
InChIKeyIMGYFWXPSXVYBV-UHFFFAOYSA-N
MW301.15 g/mol
LogP4.17
Rot. Bonds5

About 4-ethoxy-N-fluorobutanamide;molecular fluorine

4-ethoxy-N-fluorobutanamide;molecular fluorine (PubChem CID 90788571) has the molecular formula C6H12F9NO2 and a molecular weight of 301.15 g/mol. Its IUPAC name is 4-ethoxy-N-fluorobutanamide;molecular fluorine.

Molecular Properties

Compound Name4-ethoxy-N-fluorobutanamide;molecular fluorine
PubChem CID90788571
Molecular FormulaC6H12F9NO2
Molecular Weight301.15 g/mol
Exact Mass301.07
IUPAC Name4-ethoxy-N-fluorobutanamide;molecular fluorine
SMILESCCOCCCC(=O)NF.FF.FF.FF.FF
InChIInChI=1S/C6H12FNO2.4F2/c1-2-10-5-3-4-6(9)8-7;4*1-2/h2-5H2,1H3,(H,8,9);;;;
InChIKeyIMGYFWXPSXVYBV-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.17
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;molecular fluorine?
The IUPAC name of 4-ethoxy-N-fluorobutanamide;molecular fluorine (CID 90788571) is 4-ethoxy-N-fluorobutanamide;molecular fluorine.
What is the SMILES notation for 4-ethoxy-N-fluorobutanamide;molecular fluorine?
The canonical SMILES for 4-ethoxy-N-fluorobutanamide;molecular fluorine is CCOCCCC(=O)NF.FF.FF.FF.FF.
What is the InChIKey of 4-ethoxy-N-fluorobutanamide;molecular fluorine?
The InChIKey is IMGYFWXPSXVYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2.4F2/c1-2-10-5-3-4-6(9)8-7;4*1-2/h2-5H2,1H3,(H,8,9);;;;.
What are the key properties of 4-ethoxy-N-fluorobutanamide;molecular fluorine?
4-ethoxy-N-fluorobutanamide;molecular fluorine has a molecular weight of 301.15 g/mol, XLogP of 4.17, 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;molecular fluorine is sourced from PubChem (CID 90788571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).