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3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one

3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one

CAS: 339015-91-7

Formula: C12H12F3NO

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

IUPAC: 3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one

InChI: InChI=1S/C12H12F3NO/c1-11(2)7-16(10(11)17)9-5-3-8(4-6-9)12(13,14)15/h3-6H,7H2,1-2H3

Composition: C (59.26%), H (4.97%), F (23.43%), N (5.76%), O (6.58%)

Molar Mass: 243.229

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 243.087098499
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey AOUZJBGQUXUCED-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.23
Topological Polar Surface Area 20.31
Polarizability 21.14
Ring Count 2
Rotatable Bond Count 2

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