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4- (Trifluoromethyl) cyclohexanone

CAT: 1596-AR-M02896-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-M02896-05Size:150
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CAS Number
75091-99-5
Molecular Formula
C7H9F3O

Chemical Information

4-(Trifluoromethyl)cyclohexanone
CAS Number75091-99-5
PubChem CID2777491
IUPAC Name4-(trifluoromethyl)cyclohexan-1-one
Molecular FormulaC7H9F3O
Molecular Weight166.14
XLogP2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity152
SMILES
C1CC(=O)CCC1C(F)(F)F
InChI
InChI=1S/C7H9F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h5H,1-4H2
InChIKey
IPQDZFUZVJKAKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Trifluoromethyl)cyclohexanone
CAS: 75091-99-5
CID: 2777491
Formula: C7H9F3O
MW: 166.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.14
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass166.06054939
Monoisotopic Mass166.06054939
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity152
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
290357-014- (Trifluoromethyl) cyclohexanone
sc-2606093- (Trifluoromethyl) cyclohexanone
PC7668L-012- (Trifluoromethyl) cyclohexanone
sc-339702A2- (3-Trifluoromethyl-benzoyl) -cyclohexanone
10113-75Cyclohexanone
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sc-353160Cyclohexanone oxime
3121875Cyclohexanone A.R.

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