Vinyl trifluoroacetate

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CAS Number

433-28-3

Synonyms

Ethenyl trifluoroacetate, Trifluoroacetic acid vinyl ester

MDL Number

MFCD00003561

Purity

99%

Smiles

FC(F)(F)C(=O)OC=C

Additionnal Information

Stabilised with ca 10ppm 3,5-di-tert-butylcatechol

Storage Conditions

Store at 2-8°C

Chemical Information

Ethenyl 2,2,2-trifluoroacetate

structure in first source

CAS Number	433-28-3
PubChem CID	79011
IUPAC Name	ethenyl 2,2,2-trifluoroacetate
Molecular Formula	C4H3F3O2
Molecular Weight	140.06
XLogP	1.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	126

SMILES

C=COC(=O)C(F)(F)F

InChI

InChI=1S/C4H3F3O2/c1-2-9-3(8)4(5,6)7/h2H,1H2

InChIKey

ZBGRMWIREQJHPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 433-28-3

CID: 79011

Formula: C4H3F3O2

MW: 140.06

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	140.06
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	140.00851382
Monoisotopic Mass	140.00851382
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	126
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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