3-fluoroprop-2-enamide

C3H4FNO — CID 54114983

IUPAC3-fluoroprop-2-enamide
SMILESNC(=O)C=CF
InChIInChI=1S/C3H4FNO/c4-2-1-3(5)6/h1-2H,(H2,5,6)
InChIKeySUIMSVUAPCFSKZ-UHFFFAOYSA-N
MW89.07 g/mol
LogP-0.05
Rot. Bonds1

About 3-fluoroprop-2-enamide

3-fluoroprop-2-enamide (PubChem CID 54114983) has the molecular formula C3H4FNO and a molecular weight of 89.07 g/mol. Its IUPAC name is 3-fluoroprop-2-enamide.

Molecular Properties

Compound Name3-fluoroprop-2-enamide
PubChem CID54114983
Molecular FormulaC3H4FNO
Molecular Weight89.07 g/mol
Exact Mass89.03
IUPAC Name3-fluoroprop-2-enamide
SMILESNC(=O)C=CF
InChIInChI=1S/C3H4FNO/c4-2-1-3(5)6/h1-2H,(H2,5,6)
InChIKeySUIMSVUAPCFSKZ-UHFFFAOYSA-N
XLogP-0.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.07
LogP ≤ 5-0.05
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 3-fluoroprop-2-enamide?
The IUPAC name of 3-fluoroprop-2-enamide (CID 54114983) is 3-fluoroprop-2-enamide.
What is the SMILES notation for 3-fluoroprop-2-enamide?
The canonical SMILES for 3-fluoroprop-2-enamide is NC(=O)C=CF.
What is the InChIKey of 3-fluoroprop-2-enamide?
The InChIKey is SUIMSVUAPCFSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FNO/c4-2-1-3(5)6/h1-2H,(H2,5,6).
What are the key properties of 3-fluoroprop-2-enamide?
3-fluoroprop-2-enamide has a molecular weight of 89.07 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroprop-2-enamide is sourced from PubChem (CID 54114983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).