ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate

C10H19F3N2O2 — CID 55145660

IUPACethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate
SMILESCCOC(=O)C(CCN(C)CC(F)(F)F)NC
InChIInChI=1S/C10H19F3N2O2/c1-4-17-9(16)8(14-2)5-6-15(3)7-10(11,12)13/h8,14H,4-7H2,1-3H3
InChIKeyZVVWEYKCWHNZQA-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.02
Rot. Bonds7

About ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate

ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate (PubChem CID 55145660) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate
PubChem CID55145660
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Nameethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate
SMILESCCOC(=O)C(CCN(C)CC(F)(F)F)NC
InChIInChI=1S/C10H19F3N2O2/c1-4-17-9(16)8(14-2)5-6-15(3)7-10(11,12)13/h8,14H,4-7H2,1-3H3
InChIKeyZVVWEYKCWHNZQA-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate?
The IUPAC name of ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate (CID 55145660) is ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate.
What is the SMILES notation for ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate?
The canonical SMILES for ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate is CCOC(=O)C(CCN(C)CC(F)(F)F)NC.
What is the InChIKey of ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate?
The InChIKey is ZVVWEYKCWHNZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-4-17-9(16)8(14-2)5-6-15(3)7-10(11,12)13/h8,14H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate?
ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate has a molecular weight of 256.27 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate is sourced from PubChem (CID 55145660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).