2-(1-Fluoroprop-2-enylamino)propanamide

C6H11FN2O — CID 87867727

IUPAC2-(1-fluoroprop-2-enylamino)propanamide
SMILESCC(C(=O)N)NC(C=C)F
InChIInChI=1S/C6H11FN2O/c1-3-5(7)9-4(2)6(8)10/h3-5,9H,1H2,2H3,(H2,8,10)
InChIKeyONAYEFOSLQWLGG-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.30
Rot. Bonds4

About 2-(1-Fluoroprop-2-enylamino)propanamide

2-(1-Fluoroprop-2-enylamino)propanamide (PubChem CID 87867727) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is 2-(1-fluoroprop-2-enylamino)propanamide.

Molecular Properties

Compound Name2-(1-Fluoroprop-2-enylamino)propanamide
PubChem CID87867727
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC Name2-(1-fluoroprop-2-enylamino)propanamide
SMILESCC(C(=O)N)NC(C=C)F
InChIInChI=1S/C6H11FN2O/c1-3-5(7)9-4(2)6(8)10/h3-5,9H,1H2,2H3,(H2,8,10)
InChIKeyONAYEFOSLQWLGG-UHFFFAOYSA-N
XLogP0.30
TPSA55.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity138

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-Fluoroprop-2-enylamino)propanamide?
The IUPAC name of 2-(1-Fluoroprop-2-enylamino)propanamide (CID 87867727) is 2-(1-fluoroprop-2-enylamino)propanamide.
What is the SMILES notation for 2-(1-Fluoroprop-2-enylamino)propanamide?
The canonical SMILES for 2-(1-Fluoroprop-2-enylamino)propanamide is CC(C(=O)N)NC(C=C)F.
What is the InChIKey of 2-(1-Fluoroprop-2-enylamino)propanamide?
The InChIKey is ONAYEFOSLQWLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O/c1-3-5(7)9-4(2)6(8)10/h3-5,9H,1H2,2H3,(H2,8,10).
What are the key properties of 2-(1-Fluoroprop-2-enylamino)propanamide?
2-(1-Fluoroprop-2-enylamino)propanamide has a molecular weight of 146.16 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-Fluoroprop-2-enylamino)propanamide is sourced from PubChem (CID 87867727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).