Nonafluoro-tert-butyl 3-methylbutyrate

CAS
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CAS
914637-45-9
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM914637459

Product Name

Nonafluoro-tert-butyl 3-methylbutyrate

Structure

Structure

CAS

914637-45-9

Category

Heterocyclic Organic Compound

Synonyms

Nonafluoro-tert-butyl 3-methylbutyrate, CTK6A6463, MolPort-001-773-048, PC2893, AG-B-39970, 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl 3-methylbutanoate, 914637-45-9

IUPAC Name

[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] 3-methylbutanoate

Molecular Weight

320.1522

Molecular Formula

C9H9F9O2

Canonical SMILES

CC(C)CC(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F

InChI Key

KHKVAWKFDWEPTR-UHFFFAOYSA-N

Exact Mass

320.04600

H-Bond Acceptor

11

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Nonafluoro-tert-butyl 3-methylbutyrate?

The molecular formula is C9H9F9O2.

When was Nonafluoro-tert-butyl 3-methylbutyrate first created?

It was first created on March 14, 2010.

What is the molecular weight of Nonafluoro-tert-butyl 3-methylbutyrate?

The molecular weight is 320.15 g/mol.

What is the IUPAC name of Nonafluoro-tert-butyl 3-methylbutyrate?

The IUPAC name is [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] 3-methylbutanoate.

What is the InChI of Nonafluoro-tert-butyl 3-methylbutyrate?

The InChI is InChI=1S/C9H9F9O2/c1-4(2)3-5(19)20-6(7(10,11)12,8(13,14)15)9(16,17)18/h4H,3H2,1-2H3.

How many hydrogen bond acceptors are in Nonafluoro-tert-butyl 3-methylbutyrate?

There are 11 hydrogen bond acceptors.

What is the XLogP3-AA value for Nonafluoro-tert-butyl 3-methylbutyrate?

The XLogP3-AA value is 4.6.

What is the topological polar surface area of Nonafluoro-tert-butyl 3-methylbutyrate?

The topological polar surface area is 26.3 Å².

Is Nonafluoro-tert-butyl 3-methylbutyrate a canonicalized compound?

Yes, the compound is canonicalized.

How many rotatable bonds are in Nonafluoro-tert-butyl 3-methylbutyrate?

There are 4 rotatable bonds in the compound.

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