5,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborinane

5,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborinane

CAS: 501374-30-7

Formula: C12H14BF3O2

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

IUPAC: 5,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborinane

InChI: InChI=1S/C12H14BF3O2/c1-11(2)7-17-13(18-8-11)10-5-3-9(4-6-10)12(14,15)16/h3-6H,7-8H2,1-2H3

Composition: C (55.85%), H (5.47%), B (4.19%), F (22.09%), O (12.40%)

Molar Mass: 258.05

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.103894
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RHRLRPXJTDDILM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.2
Topological Polar Surface Area	18.46
Polarizability	23.23
Ring Count	2
Rotatable Bond Count	2

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