chempirical

2,2-Bis(3,5-difluoro-4-hydroxyphenyl)hexafluoropropane

C15H6F10O2CAS 114611-30-2408.20 g/mol

Open in Covalent MOL file
FHOFFOHFFFFFFF
Alkyl halideAryl halidePhenol

Properties

Molecular formula
C15H6F10O2
Molar mass
408.20 g/mol
Exact mass
408.0208 Da
logP
5.06Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
114611-30-2
SMILES
C1=C(C=C(C(=C1F)O)F)C(C2=CC(=C(C(=C2)F)O)F)(C(F)(F)F)C(F)(F)F
InChIKey
GNEPQVKRIYTVIE-UHFFFAOYSA-N
InChI
InChI=1S/C15H6F10O2/c16-7-1-5(2-8(17)11(7)26)13(14(20,21)22,15(23,24)25)6-3-9(18)12(27)10(19)4-6/h1-4,26-27H

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Work with 2,2-Bis(3,5-difluoro-4-hydroxyphenyl)hexafluoropropane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Trifluorophenol2268-17-948 % similar 4-Bromo-2,6-difluorophenol104197-13-945 % similar 4-Amino-2,6-difluorophenol126058-97-745 % similar Bisphenol af1478-61-143 % similar 3,5-Difluoro-4-hydroxybenzaldehyde118276-06-541 % similar 2,6-Difluorophenol28177-48-239 % similar 2,2′-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane83558-87-639 % similar 2,3,5,6-Tetrafluorophenol769-39-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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