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

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

CAS: 131083-16-4

Formula: C18H25BF2N2

SMILES: CCC1=C(C)N2C(=C1C)C(C)=C1C(C)=C(CC)C(C)=[N+]1[B-]2(F)F

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

InChI: InChI=1S/C18H25BF2N2/c1-8-15-10(3)17-12(5)18-11(4)16(9-2)14(7)23(18)19(20,21)22(17)13(15)6/h8-9H2,1-7H3

Composition: C (67.94%), H (7.92%), B (3.40%), F (11.94%), N (8.80%)

Molar Mass: 318.22

Atom Count: 48

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	318.207885
Formal Charge	0
FSP3	0.5
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	DZSMVBDAUBBZJD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.13
Topological Polar Surface Area	7.94
Polarizability	34.35
Ring Count	3
Rotatable Bond Count	2

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