2-fluoro-N-methylbut-2-enamide

C5H8FNO — CID 76578732

IUPAC2-fluoro-N-methylbut-2-enamide
SMILESCC=C(F)C(=O)NC
InChIInChI=1S/C5H8FNO/c1-3-4(6)5(8)7-2/h3H,1-2H3,(H,7,8)
InChIKeyAFUMFBYWAIGJIL-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.61
Rot. Bonds1

About 2-fluoro-N-methylbut-2-enamide

2-fluoro-N-methylbut-2-enamide (PubChem CID 76578732) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 2-fluoro-N-methylbut-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-methylbut-2-enamide
PubChem CID76578732
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name2-fluoro-N-methylbut-2-enamide
SMILESCC=C(F)C(=O)NC
InChIInChI=1S/C5H8FNO/c1-3-4(6)5(8)7-2/h3H,1-2H3,(H,7,8)
InChIKeyAFUMFBYWAIGJIL-UHFFFAOYSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methylbut-2-enamide?
The IUPAC name of 2-fluoro-N-methylbut-2-enamide (CID 76578732) is 2-fluoro-N-methylbut-2-enamide.
What is the SMILES notation for 2-fluoro-N-methylbut-2-enamide?
The canonical SMILES for 2-fluoro-N-methylbut-2-enamide is CC=C(F)C(=O)NC.
What is the InChIKey of 2-fluoro-N-methylbut-2-enamide?
The InChIKey is AFUMFBYWAIGJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-3-4(6)5(8)7-2/h3H,1-2H3,(H,7,8).
What are the key properties of 2-fluoro-N-methylbut-2-enamide?
2-fluoro-N-methylbut-2-enamide has a molecular weight of 117.12 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methylbut-2-enamide is sourced from PubChem (CID 76578732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).