4,4,6-trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane

4,4,6-trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane

CAS: 1011460-68-6

Formula: C9H14BF3O2

SMILES: CC1CC(C)(C)OB(O1)C(=C)C(F)(F)F

IUPAC: 4,4,6-trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane

InChI: InChI=1/C9H14BF3O2/c1-6-5-8(3,4)15-10(14-6)7(2)9(11,12)13/h6H,2,5H2,1,3-4H3

Composition: C (48.69%), H (6.36%), B (4.87%), F (25.67%), O (14.41%)

Molar Mass: 222.01

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	222.103894
Formal Charge	0
FSP3	0.78
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GGSSZVWESZQFOZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.38
Topological Polar Surface Area	18.46
Polarizability	19.05
Ring Count	1
Rotatable Bond Count	2

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