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Cyclopropyl 2-Fluorophenyl Diketone

CAT: 0572-TRC-C988705-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C988705-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1391054-37-7
Synonyms
1-Cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione; Prasugrel Hydrochloride Impurity G as Hydrochloride; Prasugrel Impurity G as Hydrochloride
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Fc1ccccc1C(=O)C(=O)C2CC2
Molecular Formula
C11 H9 F O2
Molecular Weight
192.19
InChI
InChI=1S/C11H9FO2/c12-9-4-2-1-3-8(9)11(14)10(13)7-5-6-7/h1-4,7H,5-6H2
Additionnal Information
IUPAC name: 1-cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-Cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione
CAS Number1391054-37-7
PubChem CID59407286
IUPAC Name1-cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione
Molecular FormulaC11H9FO2
Molecular Weight192.19
XLogP1.8
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity258
SMILES
C1CC1C(=O)C(=O)C2=CC=CC=C2F
InChI
InChI=1S/C11H9FO2/c12-9-4-2-1-3-8(9)11(14)10(13)7-5-6-7/h1-4,7H,5-6H2
InChIKey
FLCZRRMMACTIMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione
CAS: 1391054-37-7
CID: 59407286
Formula: C11H9FO2
MW: 192.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight192.19
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass192.05865769
Monoisotopic Mass192.05865769
Topological Polar Surface Area34.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity258
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