Ethyl trifluoroacetate

CAT: 0127-PC3270-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-PC3270-01Size:100 g

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CAS Number

383-63-1

MDL Number

MFCD00000419

Purity

99%

Smiles

CCOC(=O)C(F)(F)F

Chemical Information

Ethyl trifluoroacetate

TRIFLUOROACETIC ACID ETHYL ESTER is an organohalogen compound. It is functionally related to a carboxylic acid.

CAS Number	383-63-1
PubChem CID	9794
IUPAC Name	ethyl 2,2,2-trifluoroacetate
Molecular Formula	C4H5F3O2
Molecular Weight	142.08
XLogP	1.2
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	107

SMILES

CCOC(=O)C(F)(F)F

InChI

InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChIKey

STSCVKRWJPWALQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 383-63-1

CID: 9794

Formula: C4H5F3O2

MW: 142.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.08
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	142.02416388
Monoisotopic Mass	142.02416388
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	107
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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