Text Search
Structure Search

2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol

2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol

CAS: 1970977-56-0

Formula: C14H18BF3O3

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

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

InChI: InChI=1/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-7-5-6-9(8-10)11(19)14(16,17)18/h5-8,11,19H,1-4H3

Composition: C (55.66%), H (6.01%), B (3.58%), F (18.87%), O (15.89%)

Molar Mass: 302.1

Atom Count: 39

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 302.130109
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CDSZJUQQHUHGLH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.65
Topological Polar Surface Area 38.69
Polarizability 27.57
Ring Count 2
Rotatable Bond Count 3

Suppliers

No suppliers are currently stocking this item.