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2- (Trifluoroacetyl) cyclohexanone

CAT: 0127-PC904873-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC904873-01Size:1 g
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CAS Number
387-89-3
MDL Number
MFCD07779548
Purity
=95%
Smiles
FC(F)(F)C(=O)C1CCCCC1=O

Chemical Information

2-(Trifluoroacetyl)cyclohexanone
CAS Number387-89-3
PubChem CID238413
IUPAC Name2-(2,2,2-trifluoroacetyl)cyclohexan-1-one
Molecular FormulaC8H9F3O2
Molecular Weight194.15
XLogP2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity232
SMILES
C1CCC(=O)C(C1)C(=O)C(F)(F)F
InChI
InChI=1S/C8H9F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h5H,1-4H2
InChIKey
YDFLGIXUFCIELL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Trifluoroacetyl)cyclohexanone
CAS: 387-89-3
CID: 238413
Formula: C8H9F3O2
MW: 194.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.15
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass194.05546401
Monoisotopic Mass194.05546401
Topological Polar Surface Area34.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity232
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-3565572,6-Bis (2,2,2-trifluoroacetyl) cyclohexanone
TRC-B588650-2.5G2,6-Bis(2,2,2-trifluoroacetyl)cyclohexanone
sc-3563492-[ (E) -Benzylidene]-6- (2,2,2-trifluoroacetyl) cyclohexanone
10113-75Cyclohexanone
CS-BX-00305Cyclohexanone-d10
LC-6995.2Cyclohexanone pure
sc-353160Cyclohexanone oxime
3121875Cyclohexanone A.R.
500865-01Cyclohexanone AR
TRC-C987982-1GCyclohexanone-d6

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