Ammonium trifluoroacetate

CAT: 0926-FA77977-01Size: 0.01 kgDry Ice: NoHazardous: No

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CAT#:0926-FA77977-01Size:0.01 kg

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CAS Number

3336-58-1

MDL Number

MFCD00012615

Smiles

C (=O) (C (F) (F) F) [O-].[NH4+]

Molecular Formula

C2H4F3NO2

Molecular Weight

131.05 g/mol

Controlled

Chemical Information

Ammonium trifluoroacetate

CAS Number	3336-58-1
PubChem CID	2724268
IUPAC Name	azanium 2,2,2-trifluoroacetate
Molecular Formula	C2H4F3NO2
Molecular Weight	131.05
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	77

SMILES

C(=O)(C(F)(F)F)[O-].[NH4+]

InChI

InChI=1S/C2HF3O2.H3N/c3-2(4,5)1(6)7;/h(H,6,7);1H3

InChIKey

YCNIBOIOWCTRCL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3336-58-1

CID: 2724268

Formula: C2H4F3NO2

MW: 131.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	131.05
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	131.01941286
Monoisotopic Mass	131.01941286
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	77.9
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	2
Compound Is Canonicalized	Yes

Catalog	Name
HEA32629-01	Methylamine trifluoroacetate
FP110137-01	Penetratin trifluoroacetate
PP50564-01	Teduglutide trifluoroacetate
BGA80479-01	AC253 trifluoroacetate
BC183366-01	Cyclosomatostatin trifluoroacetate
SYB44819-01	Galnon trifluoroacetate
PJ00001-01	JT003 trifluoroacetate
ZMA78002-01	Cblc000 trifluoroacetate
ZHA80735-01	Cilengitide trifluoroacetate
YNC38341-01	Epz011989 trifluoroacetate

Catalog	Name
TSH-00235	Ammonium trifluoroacetate
A30680-01	Ammonium trifluoroacetate 98%
DE725A	Ammonium-D4 trifluoroacetate >98 Atom % D 1g bottle
DE725	Ammonium-D4 trifluoroacetate >98 Atom % D 5g bottle
HY-104009A-01	GSK2807 (Trifluoroacetate)
HY-16728B-01	Rapastinel (Trifluoroacetate)
TRC-P698065-500MG	Potassium Trifluoroacetate
TRC-M331835-5G	Methyl Trifluoroacetate
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