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2-[(3-fluorophenyl)methyl]cyclohexan-1-one

2-[(3-fluorophenyl)methyl]cyclohexan-1-one

CAS: 1236553-96-0

Formula: C13H15FO

SMILES: FC1=CC=CC(CC2CCCCC2=O)=C1

IUPAC: 2-[(3-fluorophenyl)methyl]cyclohexan-1-one

InChI: InChI=1/C13H15FO/c14-12-6-3-4-10(9-12)8-11-5-1-2-7-13(11)15/h3-4,6,9,11H,1-2,5,7-8H2

Composition: C (75.70%), H (7.33%), F (9.21%), O (7.76%)

Molar Mass: 206.26

Atom Count: 30

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 206.110693266
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey JAHNPAKUYDPZON-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.73
Topological Polar Surface Area 17.07
Polarizability 22.21
Ring Count 2
Rotatable Bond Count 2

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