2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate

C11H18FNO3 — CID 139567592

IUPAC2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate
SMILESC=C(F)COC(=O)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H18FNO3/c1-7(2)13(8(3)4)10(14)11(15)16-6-9(5)12/h7-8H,5-6H2,1-4H3
InChIKeyWRHVFETWGOFSCO-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.66
Rot. Bonds4

About 2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate

2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate (PubChem CID 139567592) has the molecular formula C11H18FNO3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Name2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate
PubChem CID139567592
Molecular FormulaC11H18FNO3
Molecular Weight231.27 g/mol
Exact Mass231.13
IUPAC Name2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate
SMILESC=C(F)COC(=O)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H18FNO3/c1-7(2)13(8(3)4)10(14)11(15)16-6-9(5)12/h7-8H,5-6H2,1-4H3
InChIKeyWRHVFETWGOFSCO-UHFFFAOYSA-N
XLogP1.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoroprop-2-enyl 2-[di(propan-2-yl)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-[di(propan-2-yl)amino]-2-oxoacetate?
The IUPAC name of 2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate (CID 139567592) is 2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for 2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate?
The canonical SMILES for 2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate is C=C(F)COC(=O)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate?
The InChIKey is WRHVFETWGOFSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO3/c1-7(2)13(8(3)4)10(14)11(15)16-6-9(5)12/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate?
2-fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate has a molecular weight of 231.27 g/mol, XLogP of 1.66, 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-[di(propan-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 139567592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).