BFM

3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid

Created:	2012-06-23
Last modified:	2013-06-26

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1 entries where BFM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	0

2D diagram of BFM

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Chemical Component Summary
Name	3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3,3,3-tris(fluoranyl)-2-oxidanyl-2-(trifluoromethyl)propanoic acid
Formula	C₄ H₂ F₆ O₃
Molecular Weight	212.047
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)C(O)(C(=O)O)C(F)(F)F
SMILES	CACTVS	3.370	OC(=O)C(O)(C(F)(F)F)C(F)(F)F
SMILES	OpenEye OEToolkits	1.7.6	C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O
Canonical SMILES	CACTVS	3.370	OC(=O)C(O)(C(F)(F)F)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O
InChI	InChI	1.03	InChI=1S/C4H2F6O3/c5-3(6,7)2(13,1(11)12)4(8,9)10/h13H,(H,11,12)
InChIKey	InChI	1.03	CMQUGOHGJUTDGZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2725043
CCDC/CSD	MEWZOF
COD	2237566

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.