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

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

CAS: 1234319-14-2

Formula: C13H17BF2O2

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

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

InChI: InChI=1S/C13H17BF2O2/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8,11H,1-4H3

Composition: C (61.45%), H (6.74%), B (4.25%), F (14.95%), O (12.59%)

Molar Mass: 254.08

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	254.128966
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XOIBKPJPWFARFO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.8
Topological Polar Surface Area	18.46
Polarizability	25.25
Ring Count	2
Rotatable Bond Count	2

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