2-fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)aniline

2-fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)aniline

Formula: C14H18BF4NO2

SMILES: CC1=C(C(=CC(N)=C1F)B1OC(C)(C)C(C)(C)O1)C(F)(F)F

IUPAC: 2-fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)aniline

InChI: InChI=1S/C14H18BF4NO2/c1-7-10(14(17,18)19)8(6-9(20)11(7)16)15-21-12(2,3)13(4,5)22-15/h6H,20H2,1-5H3

Composition: C (52.70%), H (5.69%), B (3.39%), F (23.81%), N (4.39%), O (10.03%)

Molar Mass: 319.11

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	319.136671
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YTFIDMBOPNIYCJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.64
Topological Polar Surface Area	44.48
Polarizability	27.78
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C14H18BF4NO2		Quote Only