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Structure

Methyl 3,3,3-trifluoropropionate

CAS
18830-44-9
Catalog Number
ACM18830449
Category
Other Products
Molecular Weight
142.08
Molecular Formula
C4H5F3O2

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Specification

Synonyms
METHYL 3,3,3-TRIFLUOROPROPIONATE;Methyl 3,3,3-trifluoropropanoate;Propanoic acid, 3,3,3-trifluoro-, Methyl ester
Boiling Point
95-96°C
Flash Point
-1°C
Density
1.241
Hazard Statements
F,Xi
Safety Description
16
What is the molecular formula of Methyl 3,3,3-trifluoropropionate?

The molecular formula is C4H5F3O2.

What is the molecular weight of Methyl 3,3,3-trifluoropropionate?

The molecular weight is 142.08 g/mol.

What is the IUPAC name of Methyl 3,3,3-trifluoropropionate?

The IUPAC name is methyl 3,3,3-trifluoropropanoate.

What is the InChIKey of Methyl 3,3,3-trifluoropropionate?

The InChIKey is PMGBATZKLCISOD-UHFFFAOYSA-N.

What is the Canonical SMILES of Methyl 3,3,3-trifluoropropionate?

The Canonical SMILES is COC(=O)CC(F)(F)F.

How many hydrogen bond acceptors are there in Methyl 3,3,3-trifluoropropionate?

There are 5 hydrogen bond acceptors.

What is the topological polar surface area of Methyl 3,3,3-trifluoropropionate?

The topological polar surface area is 26.3 Ų.

Is Methyl 3,3,3-trifluoropropionate a covalently-bonded unit?

Yes, it is a covalently-bonded unit.

How many rotatable bond counts are there in Methyl 3,3,3-trifluoropropionate?

There are 2 rotatable bond counts.

What is the formal charge of Methyl 3,3,3-trifluoropropionate?

The formal charge is 0.

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