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

C10H18F3NO2 — CID 60997297

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

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

ethyl 2-methyl-2-(2,2,2-trifluoroethylamino)pentanoate (PubChem CID 60997297) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is ethyl 2-methyl-2-(2,2,2-trifluoroethylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(2,2,2-trifluoroethylamino)pentanoate
PubChem CID60997297
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Nameethyl 2-methyl-2-(2,2,2-trifluoroethylamino)pentanoate
SMILESCCCC(C)(NCC(F)(F)F)C(=O)OCC
InChIInChI=1S/C10H18F3NO2/c1-4-6-9(3,8(15)16-5-2)14-7-10(11,12)13/h14H,4-7H2,1-3H3
InChIKeyLLMRHYFYOYHXMG-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-methyl-2-(2,2,2-trifluoroethylamino)pentanoate?
The IUPAC name of ethyl 2-methyl-2-(2,2,2-trifluoroethylamino)pentanoate (CID 60997297) is ethyl 2-methyl-2-(2,2,2-trifluoroethylamino)pentanoate.
What is the SMILES notation for ethyl 2-methyl-2-(2,2,2-trifluoroethylamino)pentanoate?
The canonical SMILES for ethyl 2-methyl-2-(2,2,2-trifluoroethylamino)pentanoate is CCCC(C)(NCC(F)(F)F)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-2-(2,2,2-trifluoroethylamino)pentanoate?
The InChIKey is LLMRHYFYOYHXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-6-9(3,8(15)16-5-2)14-7-10(11,12)13/h14H,4-7H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(2,2,2-trifluoroethylamino)pentanoate?
ethyl 2-methyl-2-(2,2,2-trifluoroethylamino)pentanoate 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-methyl-2-(2,2,2-trifluoroethylamino)pentanoate is sourced from PubChem (CID 60997297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).