4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

CAS: 1218790-40-9

Formula: C10H14BF3N2O2

SMILES: CC1(C)OB(OC1(C)C)C1=CNN=C1C(F)(F)F

IUPAC: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

InChI: InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)6-5-15-16-7(6)10(12,13)14/h5H,1-4H3,(H,15,16)

Composition: C (45.84%), H (5.39%), B (4.13%), F (21.75%), N (10.69%), O (12.21%)

Molar Mass: 262.04

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.110042
Formal Charge	0
FSP3	0.7
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WHYPQJYBTNZKBY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55
Topological Polar Surface Area	47.14
Polarizability	22.07
Ring Count	2
Rotatable Bond Count	2

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