N-ethoxy-2-fluoroacetamide

C4H8FNO2 — CID 174477015

IUPACN-ethoxy-2-fluoroacetamide
SMILESCCONC(=O)CF
InChIInChI=1S/C4H8FNO2/c1-2-8-6-4(7)3-5/h2-3H2,1H3,(H,6,7)
InChIKeyXGXRRRVIKGKSBE-UHFFFAOYSA-N
MW121.11 g/mol
LogP0.02
Rot. Bonds3

About N-ethoxy-2-fluoroacetamide

N-ethoxy-2-fluoroacetamide (PubChem CID 174477015) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is N-ethoxy-2-fluoroacetamide.

Molecular Properties

Compound NameN-ethoxy-2-fluoroacetamide
PubChem CID174477015
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC NameN-ethoxy-2-fluoroacetamide
SMILESCCONC(=O)CF
InChIInChI=1S/C4H8FNO2/c1-2-8-6-4(7)3-5/h2-3H2,1H3,(H,6,7)
InChIKeyXGXRRRVIKGKSBE-UHFFFAOYSA-N
XLogP0.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-fluoroacetamide?
The IUPAC name of N-ethoxy-2-fluoroacetamide (CID 174477015) is N-ethoxy-2-fluoroacetamide.
What is the SMILES notation for N-ethoxy-2-fluoroacetamide?
The canonical SMILES for N-ethoxy-2-fluoroacetamide is CCONC(=O)CF.
What is the InChIKey of N-ethoxy-2-fluoroacetamide?
The InChIKey is XGXRRRVIKGKSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO2/c1-2-8-6-4(7)3-5/h2-3H2,1H3,(H,6,7).
What are the key properties of N-ethoxy-2-fluoroacetamide?
N-ethoxy-2-fluoroacetamide has a molecular weight of 121.11 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-fluoroacetamide is sourced from PubChem (CID 174477015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).