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1- (4-Fluorophenyl) piperidin-4-one

CAT: 0024-sc-287026Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-287026Size:250 mg
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CAS Number
116247-98-4

Chemical Information

1-(4-Fluorophenyl)-4-piperidinone
CAS Number116247-98-4
PubChem CID606284
IUPAC Name1-(4-fluorophenyl)piperidin-4-one
Molecular FormulaC11H12FNO
Molecular Weight193.22
XLogP1.6
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity201
SMILES
C1CN(CCC1=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H12FNO/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4H,5-8H2
InChIKey
OLYMDXQWTWIJHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Fluorophenyl)-4-piperidinone
CAS: 116247-98-4
CID: 606284
Formula: C11H12FNO
MW: 193.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight193.22
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass193.090292168
Monoisotopic Mass193.090292168
Topological Polar Surface Area20.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity201
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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