ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate

C9H14F3NO2 — CID 61310387

IUPACethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO2/c1-2-15-8(14)7(6-3-4-6)13-5-9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyWETHJVBTBBHUIN-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.48
Rot. Bonds5

About ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate

ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 61310387) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID61310387
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Nameethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO2/c1-2-15-8(14)7(6-3-4-6)13-5-9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyWETHJVBTBBHUIN-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl N-(trifluoroacetyl)-L-leucinate
CID 14389998
Isoleucine, N-(heptafluorobutyryl) propyl ester
CID 6421031
l-Isoleucine, n-pentafluoropropionyl-, ethyl ester
CID 12647419
l-Leucine, n-heptafluorobutyryl-, isobutyl ester
CID 13743571
l-Isoleucine, n-pentafluoropropionyl-, propyl ester
CID 13783250
l-Leucine, n-pentafluoropropionyl-, propyl ester
CID 13783252
L-Leucine, N-(trifluoroacetyl)-, butyl ester
CID 13783315
l-Leucine, n-pentafluoropropionyl-, butyl ester
CID 85984509
l-Leucine, n-heptafluorobutyryl-, butyl ester
CID 86238553
l-Leucine. n-pentafluoropropionyl-, isobutyl ester
CID 86238579
l-Isoleucine, n-heptafluorobutyryl-, ethyl ester
CID 86238585
l-Leucine, n-heptafluorobutyryl-, ethyl ester
CID 86238589

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate (CID 61310387) is ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate is CCOC(=O)C(NCC(F)(F)F)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is WETHJVBTBBHUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-15-8(14)7(6-3-4-6)13-5-9(10,11)12/h6-7,13H,2-5H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate?
ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 225.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 61310387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).