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3-(4-Fluorophenyl)cyclopentanone

CAT: 0572-TRC-F402568-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F402568-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
165591-10-6
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
Fc1ccc(cc1)C2CCC(=O)C2
Molecular Formula
C11H11FO
Molecular Weight
178.2
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-(4-Fluorophenyl)cyclopentan-1-one
CAS Number165591-10-6
PubChem CID21702523
IUPAC Name3-(4-fluorophenyl)cyclopentan-1-one
Molecular FormulaC11H11FO
Molecular Weight178.20
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity194
SMILES
C1CC(=O)CC1C2=CC=C(C=C2)F
InChI
InChI=1S/C11H11FO/c12-10-4-1-8(2-5-10)9-3-6-11(13)7-9/h1-2,4-5,9H,3,6-7H2
InChIKey
UKFKGEOPZKWZEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Fluorophenyl)cyclopentan-1-one
CAS: 165591-10-6
CID: 21702523
Formula: C11H11FO
MW: 178.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.20
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass178.079393132
Monoisotopic Mass178.079393132
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity194
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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