Methyl trifluoroacrylate

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CAS Number

392-41-6

Synonyms

Methyl trifluoropropenoate

MDL Number

MFCD00077566

Purity

=95%

Smiles

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

Chemical Information

Methyl 2,3,3-trifluoroacrylate

CAS Number	392-41-6
PubChem CID	2775704
IUPAC Name	methyl 2,3,3-trifluoroprop-2-enoate
Molecular Formula	C4H3F3O2
Molecular Weight	140.06
XLogP	1.1
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	148

SMILES

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

InChI

InChI=1S/C4H3F3O2/c1-9-4(8)2(5)3(6)7/h1H3

InChIKey

LOYYAPWQNHOYQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 392-41-6

CID: 2775704

Formula: C4H3F3O2

MW: 140.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.06
XLogP3	1.1
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	148
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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