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Home > Fluorides > 132091-74-8
132091-74-8 | Cyclohexanone, 4-(1,1-dimethylethyl)-2-(trifluoromethyl)-
CAS No: 132091-74-8 Catalog No: AG00106S MDL No:
Product Description
Catalog Number:
AG00106S
Chemical Name:
Cyclohexanone, 4-(1,1-dimethylethyl)-2-(trifluoromethyl)-
CAS Number:
132091-74-8
Molecular Formula:
C11H17F3O
Molecular Weight:
222.2473
IUPAC Name:
4-tert-butyl-2-(trifluoromethyl)cyclohexan-1-one
InChI:
InChI=1S/C11H17F3O/c1-10(2,3)7-4-5-9(15)8(6-7)11(12,13)14/h7-8H,4-6H2,1-3H3
InChI Key:
GESGAVKCQTXSBR-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1C(F)(F)F)C(C)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.123g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.251g/mol
Monoisotopic Mass:
222.123g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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