ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate

C11H20F3NO2 — CID 54893042

IUPACethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)C)NCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-5-17-9(16)10(4,6-8(2)3)15-7-11(12,13)14/h8,15H,5-7H2,1-4H3
InChIKeyWLZWRXYGAHVSIE-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.51
Rot. Bonds6

About ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate

ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate (PubChem CID 54893042) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate
PubChem CID54893042
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Nameethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)C)NCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-5-17-9(16)10(4,6-8(2)3)15-7-11(12,13)14/h8,15H,5-7H2,1-4H3
InChIKeyWLZWRXYGAHVSIE-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate?
The IUPAC name of ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate (CID 54893042) is ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate.
What is the SMILES notation for ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate?
The canonical SMILES for ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate is CCOC(=O)C(C)(CC(C)C)NCC(F)(F)F.
What is the InChIKey of ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate?
The InChIKey is WLZWRXYGAHVSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-5-17-9(16)10(4,6-8(2)3)15-7-11(12,13)14/h8,15H,5-7H2,1-4H3.
What are the key properties of ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate?
ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate has a molecular weight of 255.28 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoate is sourced from PubChem (CID 54893042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).