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

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

CAS: 7639-68-1

Formula: C14H9F3O2

SMILES: OC(=CC(=O)C(F)(F)F)C1=CC=CC2=CC=CC=C12

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

InChI: InChI=1S/C14H9F3O2/c15-14(16,17)13(19)8-12(18)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,18H

Composition: C (63.16%), H (3.41%), F (21.41%), O (12.02%)

Molar Mass: 266.219

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	266.055464019
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZRAYSSKWYTWFQJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.96
Topological Polar Surface Area	37.3
Polarizability	24.79
Ring Count	2
Rotatable Bond Count	3

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