2-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol

2-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol

CAS: 1492882-59-3

Formula: C15H22BFO3

SMILES: CC(C)(O)C1=CC(F)=CC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol

InChI: InChI=1S/C15H22BFO3/c1-13(2,18)10-7-11(9-12(17)8-10)16-19-14(3,4)15(5,6)20-16/h7-9,18H,1-6H3

Composition: C (64.31%), H (7.92%), B (3.86%), F (6.78%), O (17.13%)

Molar Mass: 280.15

Atom Count: 42

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	280.164603
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CVECPHQMKMFNNI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.8
Topological Polar Surface Area	38.69
Polarizability	29.8
Ring Count	2
Rotatable Bond Count	2

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