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4-[2-(trifluoromethyl)phenyl]but-3-en-2-one

4-[2-(trifluoromethyl)phenyl]but-3-en-2-one

CAS: 76293-37-3

Formula: C11H9F3O

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

IUPAC: 4-[2-(trifluoromethyl)phenyl]but-3-en-2-one

InChI: InChI=1S/C11H9F3O/c1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14/h2-7H,1H3

Composition: C (61.68%), H (4.24%), F (26.61%), O (7.47%)

Molar Mass: 214.187

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 214.060549399
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey DNMFDFHJWALWGN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.58
Topological Polar Surface Area 17.07
Polarizability 18.61
Ring Count 1
Rotatable Bond Count 3

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