4-(3,4-dimethylphenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

4-(3,4-dimethylphenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

CAS: 63458-99-1

Formula: C12H11F3O2

SMILES: CC1=CC=C(C=C1C)C(O)=CC(=O)C(F)(F)F

IUPAC: 4-(3,4-dimethylphenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

InChI: InChI=1S/C12H11F3O2/c1-7-3-4-9(5-8(7)2)10(16)6-11(17)12(13,14)15/h3-6,16H,1-2H3

Composition: C (59.02%), H (4.54%), F (23.34%), O (13.10%)

Molar Mass: 244.213

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.071114083
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CFLYAISIVMENRT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.6
Topological Polar Surface Area	37.3
Polarizability	20.99
Ring Count	1
Rotatable Bond Count	3

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