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

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

CAS: 1622916-38-4

Formula: C13H15BF4O3

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

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

InChI: InChI=1S/C13H15BF4O3/c1-11(2)12(3,4)21-14(20-11)8-5-6-10(9(15)7-8)19-13(16,17)18/h5-7H,1-4H3

Composition: C (51.02%), H (4.94%), B (3.53%), F (24.83%), O (15.68%)

Molar Mass: 306.06

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	306.105037
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YWGMCRZGLBPKAW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	59
Topological Polar Surface Area	27.69
Polarizability	25.65
Ring Count	2
Rotatable Bond Count	3

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