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2-[3-(difluoromethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[3-(difluoromethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1698908-91-6

Formula: C13H16BF3O2

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

IUPAC: 2-[3-(difluoromethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C13H16BF3O2/c1-12(2)13(3,4)19-14(18-12)9-7-5-6-8(10(9)15)11(16)17/h5-7,11H,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 IOIJPWRPJQTXOS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.01
Topological Polar Surface Area 18.46
Polarizability 25.02
Ring Count 2
Rotatable Bond Count 2

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