2-fluorobut-3-enamide

C4H6FNO — CID 135027141

IUPAC2-fluorobut-3-enamide
SMILESC=CC(F)C(N)=O
InChIInChI=1S/C4H6FNO/c1-2-3(5)4(6)7/h2-3H,1H2,(H2,6,7)
InChIKeyVMSRXWNRNHUQIA-UHFFFAOYSA-N
MW103.10 g/mol
LogP-0.00
Rot. Bonds2

About 2-fluorobut-3-enamide

2-fluorobut-3-enamide (PubChem CID 135027141) has the molecular formula C4H6FNO and a molecular weight of 103.10 g/mol. Its IUPAC name is 2-fluorobut-3-enamide.

Molecular Properties

Compound Name2-fluorobut-3-enamide
PubChem CID135027141
Molecular FormulaC4H6FNO
Molecular Weight103.10 g/mol
Exact Mass103.04
IUPAC Name2-fluorobut-3-enamide
SMILESC=CC(F)C(N)=O
InChIInChI=1S/C4H6FNO/c1-2-3(5)4(6)7/h2-3H,1H2,(H2,6,7)
InChIKeyVMSRXWNRNHUQIA-UHFFFAOYSA-N
XLogP-0.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluorobut-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluorobut-3-enamide?
The IUPAC name of 2-fluorobut-3-enamide (CID 135027141) is 2-fluorobut-3-enamide.
What is the SMILES notation for 2-fluorobut-3-enamide?
The canonical SMILES for 2-fluorobut-3-enamide is C=CC(F)C(N)=O.
What is the InChIKey of 2-fluorobut-3-enamide?
The InChIKey is VMSRXWNRNHUQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO/c1-2-3(5)4(6)7/h2-3H,1H2,(H2,6,7).
What are the key properties of 2-fluorobut-3-enamide?
2-fluorobut-3-enamide has a molecular weight of 103.10 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobut-3-enamide is sourced from PubChem (CID 135027141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).