4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane

CAS: 214360-65-3

Formula: C13H16BF3O2

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

IUPAC: 4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane

InChI: InChI=1S/C13H16BF3O2/c1-11(2)12(3,4)19-14(18-11)10-7-5-9(6-8-10)13(15,16)17/h5-8H,1-4H3

Composition: C (57.39%), H (5.93%), B (3.97%), F (20.95%), O (11.76%)

Molar Mass: 272.07

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.119544
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GCQADNWXVSTJQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.69
Topological Polar Surface Area	18.46
Polarizability	25.05
Ring Count	2
Rotatable Bond Count	2

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