2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenol

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenol

CAS: 1638624-76-6

Formula: C13H16BF3O3

SMILES: CC1(C)OB(OC1(C)C)C1=C(O)C=C(C=C1)C(F)(F)F

IUPAC: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenol

InChI: InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-6-5-8(7-10(9)18)13(15,16)17/h5-7,18H,1-4H3

Composition: C (54.20%), H (5.60%), B (3.75%), F (19.78%), O (16.66%)

Molar Mass: 288.07

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	288.114459
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KRCYWSJOSUEADP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.67
Topological Polar Surface Area	38.69
Polarizability	25.73
Ring Count	2
Rotatable Bond Count	2

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