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

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

CAS: 57965-22-7

Formula: C10H7F3O3

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

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

InChI: InChI=1S/C10H7F3O3/c11-10(12,13)9(16)5-8(15)6-1-3-7(14)4-2-6/h1-5,14-15H

Composition: C (51.74%), H (3.04%), F (24.55%), O (20.67%)

Molar Mass: 232.158

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.034728574
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CSARTTUKSVTKBG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.49
Topological Polar Surface Area	57.53
Polarizability	18.24
Ring Count	1
Rotatable Bond Count	3

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