tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate

C11H20F3NO2 — CID 64686559

IUPACtert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCCN(CC(F)(F)F)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20F3NO2/c1-6-15(7-11(12,13)14)8(2)9(16)17-10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyCRFTXICBVCJGEQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.60
Rot. Bonds4

About tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate

tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 64686559) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID64686559
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Nametert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCCN(CC(F)(F)F)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20F3NO2/c1-6-15(7-11(12,13)14)8(2)9(16)17-10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyCRFTXICBVCJGEQ-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate (CID 64686559) is tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate is CCN(CC(F)(F)F)C(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is CRFTXICBVCJGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-6-15(7-11(12,13)14)8(2)9(16)17-10(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate?
tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 255.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 64686559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).