TFA

trifluoroacetic acid

Created:	1999-07-08
Last modified:	2024-09-27

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67 entries where TFA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	8
Chiral Atom Count	0
Bond Count	7
Aromatic Bond Count	0

2D diagram of TFA

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Chemical Component Summary
Name	trifluoroacetic acid
Systematic Name (OpenEye OEToolkits)	2,2,2-trifluoroethanoic acid
Formula	C₂ H F₃ O₂
Molecular Weight	114.023
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)C(=O)O
SMILES	CACTVS	3.370	OC(=O)C(F)(F)F
SMILES	OpenEye OEToolkits	1.7.0	C(=O)(C(F)(F)F)O
Canonical SMILES	CACTVS	3.370	OC(=O)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.0	C(=O)(C(F)(F)F)O
InChI	InChI	1.03	InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey	InChI	1.03	DTQVDTLACAAQTR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	23138861, 6422
ChEMBL	CHEMBL506259
ChEBI	CHEBI:45892
CCDC/CSD	LUNXIB01, IMIZEL, CPOMOB10, HIJYAB, LESDAP, HUZLOF, GETPIF, BOQVUB, DAGFEZ, LOGZIR, CAGTOV, BAZGAL, GIQHUM, IFEXOI, GIQQII, FICZIC, JINCUF, ASIJOC, BULMAW10, CUPZOD, BASJUA, CEJPAK, COGKUG, ERACAB, BOQGOD, LUXXOS, FOKJOE, DEHFAZ, KUQKIS, CIXFIB, KOGMAV, JURRIA, ABEYUB, IKAJAH, GALBAA, EBODEI, IDEHEI

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.