3-fluoro-2-methylidenebut-3-enamide

C5H6FNO — CID 123865072

IUPAC3-fluoro-2-methylidenebut-3-enamide
SMILESC=C(F)C(=C)C(N)=O
InChIInChI=1S/C5H6FNO/c1-3(4(2)6)5(7)8/h1-2H2,(H2,7,8)
InChIKeyGCGSJUBUMXIWER-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.51
Rot. Bonds2

About 3-fluoro-2-methylidenebut-3-enamide

3-fluoro-2-methylidenebut-3-enamide (PubChem CID 123865072) has the molecular formula C5H6FNO and a molecular weight of 115.11 g/mol. Its IUPAC name is 3-fluoro-2-methylidenebut-3-enamide.

Molecular Properties

Compound Name3-fluoro-2-methylidenebut-3-enamide
PubChem CID123865072
Molecular FormulaC5H6FNO
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Name3-fluoro-2-methylidenebut-3-enamide
SMILESC=C(F)C(=C)C(N)=O
InChIInChI=1S/C5H6FNO/c1-3(4(2)6)5(7)8/h1-2H2,(H2,7,8)
InChIKeyGCGSJUBUMXIWER-UHFFFAOYSA-N
XLogP0.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylidenebut-3-enamide?
The IUPAC name of 3-fluoro-2-methylidenebut-3-enamide (CID 123865072) is 3-fluoro-2-methylidenebut-3-enamide.
What is the SMILES notation for 3-fluoro-2-methylidenebut-3-enamide?
The canonical SMILES for 3-fluoro-2-methylidenebut-3-enamide is C=C(F)C(=C)C(N)=O.
What is the InChIKey of 3-fluoro-2-methylidenebut-3-enamide?
The InChIKey is GCGSJUBUMXIWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO/c1-3(4(2)6)5(7)8/h1-2H2,(H2,7,8).
What are the key properties of 3-fluoro-2-methylidenebut-3-enamide?
3-fluoro-2-methylidenebut-3-enamide has a molecular weight of 115.11 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylidenebut-3-enamide is sourced from PubChem (CID 123865072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).