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

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

CAS: 1294009-25-8

Formula: C15H18BF3O2

SMILES: CC1(C)OB(OC1(C)C)C=CC1=CC=CC=C1C(F)(F)F

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

InChI: InChI=1S/C15H18BF3O2/c1-13(2)14(3,4)21-16(20-13)10-9-11-7-5-6-8-12(11)15(17,18)19/h5-10H,1-4H3/b10-9+

Composition: C (60.44%), H (6.09%), B (3.63%), F (19.12%), O (10.73%)

Molar Mass: 298.11

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	298.135194
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	AIZXRYDBPGYTGI-MDZDMXLPSA-N
Lipinski's Rule of Five
Molar Refractivity	71.46
Topological Polar Surface Area	18.46
Polarizability	28.46
Ring Count	2
Rotatable Bond Count	3

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