1,9-Diazaspiro[5.5]undecane-9-carboxylic acid,1-(2,2,2-trifluoroacetyl)-,1,1-dimethylethyl ester

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CAS
918896-27-2
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96%
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Catalog Number

ACM918896272

Product Name

1,9-Diazaspiro[5.5]undecane-9-carboxylic acid,1-(2,2,2-trifluoroacetyl)-,1,1-dimethylethyl ester

Structure

Structure

CAS

918896-27-2

Category

Heterocyclic Organic Compound

Synonyms

KB-64739, 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid,1-(2,2,2-trifluoroacetyl)-,1,1-dimethylethyl ester, 918896-27-2

IUPAC Name

tert-butyl 1-(2,2,2-trifluoroacetyl)-1,9-diazaspiro[5.5]undecane-9-carboxylate

Molecular Weight

350.376510 [g/mol]

Molecular Formula

C₁₆H₂₅F₃N₂O₃

InChI Key

PXTBCZBMOQFZMO-UHFFFAOYSA-N

Exact Mass

350.18200

H-Bond Acceptor

6

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester?

The molecular formula is C16H25F3N2O3.

What is the molecular weight of 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester?

The molecular weight is 350.38 g/mol.

When was 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester created?

It was created on March 7, 2014.

When was 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester last modified?

It was last modified on December 30, 2023.

What is the IUPAC name of 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester?

The IUPAC name is tert-butyl 1-(2,2,2-trifluoroacetyl)-1,9-diazaspiro[5.5]undecane-9-carboxylate.

What is the InChI of 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester?

The InChI is InChI=1S/C16H25F3N2O3/c1-14(2,3)24-13(23)20-10-7-15(8-11-20)6-4-5-9-21(15)12(22)16(17,18)19/h4-11H2,1-3H3.

What is the InChIKey of 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester?

The InChIKey is PXTBCZBMOQFZMO-UHFFFAOYSA-N.

What is the canonical SMILES of 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester?

The canonical SMILES is CC(C)(C)OC(=O)N1CCC2(CCCCN2C(=O)C(F)(F)F)CC1.

What is the XLogP3-AA value of 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester?

The XLogP3-AA value is 2.9.

How many hydrogen bond acceptors does 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester have?

It has 6 hydrogen bond acceptors.

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