ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate

C10H18F3NO2 — CID 60998471

IUPACethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate
SMILESCCOC(=O)C(CC)(CC)NCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-9(5-2,8(15)16-6-3)14-7-10(11,12)13/h14H,4-7H2,1-3H3
InChIKeyMHAOKJYUKXWXMM-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.26
Rot. Bonds6

About ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate

ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate (PubChem CID 60998471) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate
PubChem CID60998471
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Nameethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate
SMILESCCOC(=O)C(CC)(CC)NCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-9(5-2,8(15)16-6-3)14-7-10(11,12)13/h14H,4-7H2,1-3H3
InChIKeyMHAOKJYUKXWXMM-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate?
The IUPAC name of ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate (CID 60998471) is ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate?
The canonical SMILES for ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate is CCOC(=O)C(CC)(CC)NCC(F)(F)F.
What is the InChIKey of ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate?
The InChIKey is MHAOKJYUKXWXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-9(5-2,8(15)16-6-3)14-7-10(11,12)13/h14H,4-7H2,1-3H3.
What are the key properties of ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate?
ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate has a molecular weight of 241.25 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-(2,2,2-trifluoroethylamino)butanoate is sourced from PubChem (CID 60998471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).