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

C9H12FNO3 — CID 139567589

IUPAC2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate
SMILESC=CCN(C)C(=O)C(=O)OCC(=C)F
InChIInChI=1S/C9H12FNO3/c1-4-5-11(3)8(12)9(13)14-6-7(2)10/h4H,1-2,5-6H2,3H3
InChIKeyIOKPYPHJOXRARJ-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.66
Rot. Bonds4

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

2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate (PubChem CID 139567589) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate.

Molecular Properties

Compound Name2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate
PubChem CID139567589
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate
SMILESC=CCN(C)C(=O)C(=O)OCC(=C)F
InChIInChI=1S/C9H12FNO3/c1-4-5-11(3)8(12)9(13)14-6-7(2)10/h4H,1-2,5-6H2,3H3
InChIKeyIOKPYPHJOXRARJ-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate?
The IUPAC name of 2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate (CID 139567589) is 2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate.
What is the SMILES notation for 2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate?
The canonical SMILES for 2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate is C=CCN(C)C(=O)C(=O)OCC(=C)F.
What is the InChIKey of 2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate?
The InChIKey is IOKPYPHJOXRARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-4-5-11(3)8(12)9(13)14-6-7(2)10/h4H,1-2,5-6H2,3H3.
What are the key properties of 2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate?
2-fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate has a molecular weight of 201.20 g/mol, XLogP of 0.66, 4 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-[methyl(prop-2-enyl)amino]-2-oxoacetate is sourced from PubChem (CID 139567589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).