POTASSIUM 4,4'-(HEXAFLUOROISOPROPYLIDENE)DIPHENOLATE

General Information

Mainterm	POTASSIUM 4,4'-(HEXAFLUOROISOPROPYLIDENE)DIPHENOLATE
CAS Reg.No.(or other ID)	25088-69-1
Regnum	177.2400

From www.fda.gov

Computed Descriptors

2D Structure
CID	90712
IUPAC Name	dipotassium;4-[1,1,1,3,3,3-hexafluoro-2-(4-oxidophenyl)propan-2-yl]phenolate
InChI	InChI=1S/C15H10F6O2.2K/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;;/h1-8,22-23H;;/q;2*+1/p-2
InChI Key	VMHMZFAVEXGDPW-UHFFFAOYSA-L
Canonical SMILES	C1=CC(=CC=C1C(C2=CC=C(C=C2)[O-])(C(F)(F)F)C(F)(F)F)[O-].[K+].[K+]
Molecular Formula	C15H8F6K2O2
Wikipedia	dipotassium 4,4'-(hexafluoroisopropylidene)bisphenoxide

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	412.414
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Complexity	352.0
CACTVS Substructure Key Fingerprint	A A A D c c B w M c A A Y A A A A A A A A A A A A A A A A A A A A A A w Y A A A A A A A A A A B Q A A A G w A A A A A A D g S A m B A w B o A A A A C A A i B C A A A C A A A g I A A I i A A G C I g I J i K A E R K A M A A k w B E I i A e A w P A P o A A A A A A A A A B A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	46.1
Monoisotopic Mass	411.97
Exact Mass	411.97
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	25
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	Organic potassium salts Hydrocarbon derivatives Organic oxides Organooxygen compounds Phenoxides Organofluorides Alkyl fluorides Organic metal halides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylmethane - Phenoxide - Organic metal halide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.

From ClassyFire