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3-[(4-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

3-[(4-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

CAS: 100445-51-0

Formula: C14H16FNO

SMILES: CC1(C)CC(=O)C=C(C1)NC1=CC=C(F)C=C1

IUPAC: 3-[(4-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

InChI: InChI=1S/C14H16FNO/c1-14(2)8-12(7-13(17)9-14)16-11-5-3-10(15)4-6-11/h3-7,16H,8-9H2,1-2H3

Composition: C (72.08%), H (6.91%), F (8.14%), N (6.00%), O (6.86%)

Molar Mass: 233.286

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.121592302
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IPWMRCZGHYSQOD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.62
Topological Polar Surface Area 29.1
Polarizability 24.95
Ring Count 2
Rotatable Bond Count 2

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