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Structure

1,1,1,3,3-Pentafluoroisopropyl fluorosulfate

CAS
933668-27-0
Catalog Number
ACM933668270
Category
Other Products
Molecular Weight
232.102
Molecular Formula
C3H2F6O3S

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Specification

IUPAC Name
[(2S)-1-oxo-1-phenylpropan-2-yl](3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
Canonical SMILES
CC(C(=O)C1=CC=CC=C1)OC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC
InChI Key
YCOGSLZXFLGKIA-GOEBONIOSA-N
Exact Mass
231.96300
What is the molecular formula of 1,1,1,3,3-Pentafluoroisopropyl fluorosulfate?

The molecular formula is C3H2F6O3S.

When was 1,1,1,3,3-Pentafluoroisopropyl fluorosulfate created and modified in PubChem?

It was created on 2010-03-29 and modified on 2023-12-30.

What is the IUPAC name of 1,1,1,3,3-Pentafluoroisopropyl fluorosulfate?

The IUPAC name is 1,1,1,3-pentafluoro-2-fluorosulfonyloxypropane.

What is the InChIKey of 1,1,1,3,3-Pentafluoroisopropyl fluorosulfate?

The InChIKey is HMFXCJZFHUKHTL-UHFFFAOYSA-N.

How many hydrogen bond acceptors are present in 1,1,1,3,3-Pentafluoroisopropyl fluorosulfate?

There are 9 hydrogen bond acceptors.

What is the exact mass of 1,1,1,3,3-Pentafluoroisopropyl fluorosulfate?

The exact mass is 231.96288407 g/mol.

How many rotatable bonds are present in 1,1,1,3,3-Pentafluoroisopropyl fluorosulfate?

There are 3 rotatable bonds.

What is the topological polar surface area of 1,1,1,3,3-Pentafluoroisopropyl fluorosulfate?

The topological polar surface area is 51.8 Å^2.

Is 1,1,1,3,3-Pentafluoroisopropyl fluorosulfate a canonicalized compound?

Yes, it is a canonicalized compound.

What is the complexity of 1,1,1,3,3-Pentafluoroisopropyl fluorosulfate?

The complexity is 249.

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