methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate

C17H16F3NO4 — CID 23091154

IUPACmethyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCOc1ccc2ccccc2c1C(NC(=O)C(F)(F)F)C(=O)OC
InChIInChI=1S/C17H16F3NO4/c1-3-25-12-9-8-10-6-4-5-7-11(10)13(12)14(15(22)24-2)21-16(23)17(18,19)20/h4-9,14H,3H2,1-2H3,(H,21,23)
InChIKeyMEADPUSKLJBLRT-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.13
Rot. Bonds5

About methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate

methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 23091154) has the molecular formula C17H16F3NO4 and a molecular weight of 355.31 g/mol. Its IUPAC name is methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID23091154
Molecular FormulaC17H16F3NO4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Namemethyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCOc1ccc2ccccc2c1C(NC(=O)C(F)(F)F)C(=O)OC
InChIInChI=1S/C17H16F3NO4/c1-3-25-12-9-8-10-6-4-5-7-11(10)13(12)14(15(22)24-2)21-16(23)17(18,19)20/h4-9,14H,3H2,1-2H3,(H,21,23)
InChIKeyMEADPUSKLJBLRT-UHFFFAOYSA-N
XLogP3.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 23091154) is methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate is CCOc1ccc2ccccc2c1C(NC(=O)C(F)(F)F)C(=O)OC.
What is the InChIKey of methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is MEADPUSKLJBLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4/c1-3-25-12-9-8-10-6-4-5-7-11(10)13(12)14(15(22)24-2)21-16(23)17(18,19)20/h4-9,14H,3H2,1-2H3,(H,21,23).
What are the key properties of methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate?
methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 355.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethoxynaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 23091154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).