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Structure

(2,2,2-Trifluoroethyl)oxirane

CAS
407-12-5
Catalog Number
ACM407125
Category
Other Products
Molecular Weight
126.08
Molecular Formula
C4H5F3O

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Specification

Synonyms
4,4,4-TRIFLUORO-1,2-EPOXYBUTANE;1,1,1-TRIFLUORO-3,4-EPOXYBUTANE;(2,2,2-TRIFLUOROETHYL)OXIRANE;1,2-Epoxy-1H,1H,2H,3H,3H-trifluorobutane;2-(2,2,2-Trifluoroethyl)oxirane, 4,4,4-Trifluoro-1,2-epoxybutane, 3-(Trifluoromethyl)-1,2-epoxypropane;3-(Trifluromethyl)-1,2-propenoxide;(2,2,2-Trifluoroethyl)oxirane
1,1,1-Trifluoro-3,4-epoxybutane;2-(2,2,2-Trifluoroethyl)oxirane, 3,4-Epoxy-1,1,1-Trifluorobutane, 1,2-Epoxy-3-(trifluoromethyl)propane
Boiling Point
68-69°C
Density
1,249 g/cm³
Hazard Statements
Xi,T,F
Safety Description
16-26-36
What is the molecular formula of (2,2,2-Trifluoroethyl)oxirane?

The molecular formula is C4H5F3O.

What is the molecular weight of (2,2,2-Trifluoroethyl)oxirane?

The molecular weight is 126.08 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-(2,2,2-trifluoroethyl)oxirane.

What is the InChIKey of the compound?

The InChIKey is KSAGWVJHDZAMEZ-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 12.5 Å2.

Is the compound considered canonicalized?

Yes, the compound is canonicalized.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.4.

How many rotatable bond counts does the compound have?

The compound has 1 rotatable bond count.

What is the formal charge of the compound?

The formal charge is 0.

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