2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol

2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol

CAS: 1467061-57-9

Formula: C14H18BF3O3

SMILES: CC(O)(C1=CC=C(C=C1)B1OCC(C)(C)CO1)C(F)(F)F

IUPAC: 2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol

InChI: InChI=1/C14H18BF3O3/c1-12(2)8-20-15(21-9-12)11-6-4-10(5-7-11)13(3,19)14(16,17)18/h4-7,19H,8-9H2,1-3H3

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	JULSAKQYNOLJLG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.8
Topological Polar Surface Area	38.69
Polarizability	27.57
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1467061-57-9		$147.54-$691.03$147.54$310.21$691.03