4-ethoxy-N-fluoro-2-methylbutanamide

C7H14FNO2 — CID 59319960

IUPAC4-ethoxy-N-fluoro-2-methylbutanamide
SMILESCCOCCC(C)C(=O)NF
InChIInChI=1S/C7H14FNO2/c1-3-11-5-4-6(2)7(10)9-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyNKTUIVGFIBLPAK-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.05
Rot. Bonds5

About 4-ethoxy-N-fluoro-2-methylbutanamide

4-ethoxy-N-fluoro-2-methylbutanamide (PubChem CID 59319960) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 4-ethoxy-N-fluoro-2-methylbutanamide.

Molecular Properties

Compound Name4-ethoxy-N-fluoro-2-methylbutanamide
PubChem CID59319960
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name4-ethoxy-N-fluoro-2-methylbutanamide
SMILESCCOCCC(C)C(=O)NF
InChIInChI=1S/C7H14FNO2/c1-3-11-5-4-6(2)7(10)9-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyNKTUIVGFIBLPAK-UHFFFAOYSA-N
XLogP1.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.05
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-fluoro-2-methylbutanamide?
The IUPAC name of 4-ethoxy-N-fluoro-2-methylbutanamide (CID 59319960) is 4-ethoxy-N-fluoro-2-methylbutanamide.
What is the SMILES notation for 4-ethoxy-N-fluoro-2-methylbutanamide?
The canonical SMILES for 4-ethoxy-N-fluoro-2-methylbutanamide is CCOCCC(C)C(=O)NF.
What is the InChIKey of 4-ethoxy-N-fluoro-2-methylbutanamide?
The InChIKey is NKTUIVGFIBLPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-3-11-5-4-6(2)7(10)9-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-ethoxy-N-fluoro-2-methylbutanamide?
4-ethoxy-N-fluoro-2-methylbutanamide has a molecular weight of 163.19 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-fluoro-2-methylbutanamide is sourced from PubChem (CID 59319960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).