(E)-3-fluoro-N-methylbut-2-enamide

C5H8FNO — CID 118189831

IUPAC(E)-3-fluoro-N-methylbut-2-enamide
SMILESCNC(=O)/C=C(\C)F
InChIInChI=1S/C5H8FNO/c1-4(6)3-5(8)7-2/h3H,1-2H3,(H,7,8)/b4-3+
InChIKeyGWPRQVWSPSIFMU-ONEGZZNKSA-N
MW117.12 g/mol
LogP0.61
Rot. Bonds1

About (E)-3-fluoro-N-methylbut-2-enamide

(E)-3-fluoro-N-methylbut-2-enamide (PubChem CID 118189831) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is (E)-3-fluoro-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-fluoro-N-methylbut-2-enamide
PubChem CID118189831
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(E)-3-fluoro-N-methylbut-2-enamide
SMILESCNC(=O)/C=C(\C)F
InChIInChI=1S/C5H8FNO/c1-4(6)3-5(8)7-2/h3H,1-2H3,(H,7,8)/b4-3+
InChIKeyGWPRQVWSPSIFMU-ONEGZZNKSA-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 (E)-3-fluoro-N-methylbut-2-enamide?
The IUPAC name of (E)-3-fluoro-N-methylbut-2-enamide (CID 118189831) is (E)-3-fluoro-N-methylbut-2-enamide.
What is the SMILES notation for (E)-3-fluoro-N-methylbut-2-enamide?
The canonical SMILES for (E)-3-fluoro-N-methylbut-2-enamide is CNC(=O)/C=C(\C)F.
What is the InChIKey of (E)-3-fluoro-N-methylbut-2-enamide?
The InChIKey is GWPRQVWSPSIFMU-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8FNO/c1-4(6)3-5(8)7-2/h3H,1-2H3,(H,7,8)/b4-3+.
What are the key properties of (E)-3-fluoro-N-methylbut-2-enamide?
(E)-3-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 (E)-3-fluoro-N-methylbut-2-enamide is sourced from PubChem (CID 118189831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).