ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate

C11H20F3NO2 — CID 61318714

IUPACethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate
SMILESCCOC(=O)C(NCC(F)(F)F)C(CC)CC
InChIInChI=1S/C11H20F3NO2/c1-4-8(5-2)9(10(16)17-6-3)15-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyPIZOIOPSTHWUPZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.51
Rot. Bonds7

About ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate

ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate (PubChem CID 61318714) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate
PubChem CID61318714
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Nameethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate
SMILESCCOC(=O)C(NCC(F)(F)F)C(CC)CC
InChIInChI=1S/C11H20F3NO2/c1-4-8(5-2)9(10(16)17-6-3)15-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyPIZOIOPSTHWUPZ-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate?
The IUPAC name of ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate (CID 61318714) is ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate.
What is the SMILES notation for ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate?
The canonical SMILES for ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate is CCOC(=O)C(NCC(F)(F)F)C(CC)CC.
What is the InChIKey of ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate?
The InChIKey is PIZOIOPSTHWUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-4-8(5-2)9(10(16)17-6-3)15-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate?
ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate has a molecular weight of 255.28 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-(2,2,2-trifluoroethylamino)pentanoate is sourced from PubChem (CID 61318714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).