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1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol

CAS: 802-93-7

Formula: C12H6F12O2

SMILES: OC(C1=CC(=CC=C1)C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F

IUPAC: 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol

InChI: InChI=1S/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-2-1-3-6(4-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H

Composition: C (35.14%), H (1.47%), F (55.58%), O (7.80%)

Molar Mass: 410.159

Atom Count: 32

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 410.017617389
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey PGUIOHNOYADLMU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.61
Topological Polar Surface Area 40.46
Polarizability 21.97
Ring Count 1
Rotatable Bond Count 6

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