[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate

C9H14F3NO3 — CID 57219811

IUPAC[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate
SMILESCC(=O)OCC(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H14F3NO3/c1-6(2)13(5-9(10,11)12)8(15)4-16-7(3)14/h6H,4-5H2,1-3H3
InChIKeyMDMKAYVIJYFMQX-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.35
Rot. Bonds4

About [2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate

[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate (PubChem CID 57219811) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is [2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate
PubChem CID57219811
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate
SMILESCC(=O)OCC(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H14F3NO3/c1-6(2)13(5-9(10,11)12)8(15)4-16-7(3)14/h6H,4-5H2,1-3H3
InChIKeyMDMKAYVIJYFMQX-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Isopropyl(trifluoroacetyl)amino)ethyl trifluoroacetate
CID 91712837
N,N-diethyl-2-fluoro-2-heptafluoropropoxyacet-amide
CID 100977959
Ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 60893933
N,N-diethylacetoxyacetamide
CID 19735944
2-(N-Ethyl-2,2,2-trifluoroacetamido)ethyl 2,2,2-trifluoroacetate
CID 91721561
N-(2,2,2-trifluoroethyl)-N-methyl-acetoxyacetamide
CID 13090849
N-(2,2,2-trifluoroethyl)-N-ethyl-acetoxyacetamide
CID 13090850
2,2,2-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82960259
2-[Ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate
CID 87332475
4,4,4-Trifluorobut-2-ynyl 2-(diethylamino)-2-oxoacetate
CID 139567678
4,4,4-Trifluorobut-2-ynyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate
CID 139567684
4,4,4-Trifluorobut-2-ynyl 2-[di(propan-2-yl)amino]-2-oxoacetate
CID 139567685

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate?
The IUPAC name of [2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate (CID 57219811) is [2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate.
What is the SMILES notation for [2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate?
The canonical SMILES for [2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate is CC(=O)OCC(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of [2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate?
The InChIKey is MDMKAYVIJYFMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-6(2)13(5-9(10,11)12)8(15)4-16-7(3)14/h6H,4-5H2,1-3H3.
What are the key properties of [2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate?
[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate has a molecular weight of 241.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate is sourced from PubChem (CID 57219811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).