2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate

C8H9F4NO3 — CID 139567570

IUPAC2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
SMILESC=C(F)COC(=O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H9F4NO3/c1-5(9)3-16-7(15)6(14)13(2)4-8(10,11)12/h1,3-4H2,2H3
InChIKeyYAPARZKVVQINNJ-UHFFFAOYSA-N
MW243.16 g/mol
LogP1.03
Rot. Bonds3

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

2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate (PubChem CID 139567570) has the molecular formula C8H9F4NO3 and a molecular weight of 243.16 g/mol. Its IUPAC name is 2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate.

Molecular Properties

Compound Name2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
PubChem CID139567570
Molecular FormulaC8H9F4NO3
Molecular Weight243.16 g/mol
Exact Mass243.05
IUPAC Name2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
SMILESC=C(F)COC(=O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H9F4NO3/c1-5(9)3-16-7(15)6(14)13(2)4-8(10,11)12/h1,3-4H2,2H3
InChIKeyYAPARZKVVQINNJ-UHFFFAOYSA-N
XLogP1.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
The IUPAC name of 2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate (CID 139567570) is 2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate.
What is the SMILES notation for 2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
The canonical SMILES for 2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate is C=C(F)COC(=O)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
The InChIKey is YAPARZKVVQINNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4NO3/c1-5(9)3-16-7(15)6(14)13(2)4-8(10,11)12/h1,3-4H2,2H3.
What are the key properties of 2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
2-fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate has a molecular weight of 243.16 g/mol, XLogP of 1.03, 3 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(2,2,2-trifluoroethyl)amino]-2-oxoacetate is sourced from PubChem (CID 139567570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).