1,1,1-trifluoro-4-hydroxy-4-(3-methoxyphenyl)but-3-en-2-one

1,1,1-trifluoro-4-hydroxy-4-(3-methoxyphenyl)but-3-en-2-one

CAS: 57965-21-6

Formula: C11H9F3O3

SMILES: COC1=CC=CC(=C1)C(O)=CC(=O)C(F)(F)F

IUPAC: 1,1,1-trifluoro-4-hydroxy-4-(3-methoxyphenyl)but-3-en-2-one

InChI: InChI=1S/C11H9F3O3/c1-17-8-4-2-3-7(5-8)9(15)6-10(16)11(12,13)14/h2-6,15H,1H3

Composition: C (53.67%), H (3.69%), F (23.15%), O (19.50%)

Molar Mass: 246.185

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	246.050378639
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WCRXFALRZXJIDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.98
Topological Polar Surface Area	46.53
Polarizability	20.09
Ring Count	1
Rotatable Bond Count	4

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