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8-cyano-2,2-difluoro-4,5,6,10,11,12-hexamethyl-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

8-cyano-2,2-difluoro-4,5,6,10,11,12-hexamethyl-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

Formula: C16H18BF2N3

SMILES: CC1=C(C)C(C)=C2N1[B-](F)(F)[N+]1=C(C)C(C)=C(C)C1=C2C#N

IUPAC: 8-cyano-2,2-difluoro-4,5,6,10,11,12-hexamethyl-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

InChI: InChI=1S/C16H18BF2N3/c1-8-10(3)15-14(7-20)16-11(4)9(2)13(6)22(16)17(18,19)21(15)12(8)5/h1-6H3

Composition: C (63.81%), H (6.02%), B (3.59%), F (12.62%), N (13.95%)

Molar Mass: 301.15

Atom Count: 40

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 301.156184
Formal Charge 0
FSP3 0.37
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LXNVCQRKLGCOPW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.63
Topological Polar Surface Area 31.73
Polarizability 30.54
Ring Count 3
Rotatable Bond Count 0

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