ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate

C10H16F3NO3 — CID 90176642

IUPACethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCCOC(=O)C(C)(C)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-5-17-8(16)9(2,3)6-14(4)7(15)10(11,12)13/h5-6H2,1-4H3
InChIKeyORTLRDCHPPLERQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.60
Rot. Bonds4

About ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate

ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 90176642) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID90176642
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Nameethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCCOC(=O)C(C)(C)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-5-17-8(16)9(2,3)6-14(4)7(15)10(11,12)13/h5-6H2,1-4H3
InChIKeyORTLRDCHPPLERQ-UHFFFAOYSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate (CID 90176642) is ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate is CCOC(=O)C(C)(C)CN(C)C(=O)C(F)(F)F.
What is the InChIKey of ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is ORTLRDCHPPLERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-5-17-8(16)9(2,3)6-14(4)7(15)10(11,12)13/h5-6H2,1-4H3.
What are the key properties of ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate?
ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 255.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 90176642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).