2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate

C11H14FNO3 — CID 139567595

IUPAC2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
SMILESC=CCN(CC=C)C(=O)C(=O)OCC(=C)F
InChIInChI=1S/C11H14FNO3/c1-4-6-13(7-5-2)10(14)11(15)16-8-9(3)12/h4-5H,1-3,6-8H2
InChIKeyVGEXLKQLHNAMJF-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.21
Rot. Bonds6

About 2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate

2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate (PubChem CID 139567595) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate.

Molecular Properties

Compound Name2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
PubChem CID139567595
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
SMILESC=CCN(CC=C)C(=O)C(=O)OCC(=C)F
InChIInChI=1S/C11H14FNO3/c1-4-6-13(7-5-2)10(14)11(15)16-8-9(3)12/h4-5H,1-3,6-8H2
InChIKeyVGEXLKQLHNAMJF-UHFFFAOYSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate 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-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate?
The IUPAC name of 2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate (CID 139567595) is 2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate.
What is the SMILES notation for 2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate?
The canonical SMILES for 2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate is C=CCN(CC=C)C(=O)C(=O)OCC(=C)F.
What is the InChIKey of 2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate?
The InChIKey is VGEXLKQLHNAMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-4-6-13(7-5-2)10(14)11(15)16-8-9(3)12/h4-5H,1-3,6-8H2.
What are the key properties of 2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate?
2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate has a molecular weight of 227.23 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate is sourced from PubChem (CID 139567595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).