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Home > Fluorides > 101564-50-5
101564-50-5 | 2-Cyclohexen-1-one, 3,5,5-trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-
CAS No: 101564-50-5 Catalog No: AG0004T5 MDL No:
Product Description
Catalog Number:
AG0004T5
Chemical Name:
2-Cyclohexen-1-one, 3,5,5-trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-
CAS Number:
101564-50-5
Molecular Formula:
C12H14F6O2
Molecular Weight:
304.2288
IUPAC Name:
6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C12H14F6O2/c1-6-4-7(19)8(9(2,3)5-6)10(20,11(13,14)15)12(16,17)18/h4,8,20H,5H2,1-3H3
InChI Key:
NGQSHSNHDAUHIQ-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)(C(F)(F)F)C1C(=O)C=C(CC1(C)C)C
NSC Number:
659257
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.232g/mol
Monoisotopic Mass:
304.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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