ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate

C13H20F3NO3 — CID 60661010

IUPACethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C13H20F3NO3/c1-3-20-12(19)7-6-11(18)17(8-13(14,15)16)9(2)10-4-5-10/h9-10H,3-8H2,1-2H3
InChIKeyWYFNFVRWSIRTMG-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.52
Rot. Bonds7

About ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate

ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate (PubChem CID 60661010) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
PubChem CID60661010
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Nameethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C13H20F3NO3/c1-3-20-12(19)7-6-11(18)17(8-13(14,15)16)9(2)10-4-5-10/h9-10H,3-8H2,1-2H3
InChIKeyWYFNFVRWSIRTMG-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate (CID 60661010) is ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate?
The InChIKey is WYFNFVRWSIRTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c1-3-20-12(19)7-6-11(18)17(8-13(14,15)16)9(2)10-4-5-10/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate?
ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate has a molecular weight of 295.30 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate is sourced from PubChem (CID 60661010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).