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Home > Fluorides > 114611-30-2
114611-30-2 | Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2,6-difluoro-
CAS No: 114611-30-2 Catalog No: AG000ETV MDL No:MFCD01320803
Product Description
Catalog Number:
AG000ETV
Chemical Name:
Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2,6-difluoro-
CAS Number:
114611-30-2
Molecular Formula:
C15H6F10O2
Molecular Weight:
408.1910
MDL Number:
MFCD01320803
IUPAC Name:
4-[2-(3,5-difluoro-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenol
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
InChI Key:
GNEPQVKRIYTVIE-UHFFFAOYSA-N
SMILES:
FC(C(C(F)(F)F)(c1cc(F)c(c(c1)F)O)c1cc(F)c(c(c1)F)O)(F)F
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.021g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
408.195g/mol
Monoisotopic Mass:
408.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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