2'-(trifluoromethyl)spiro[adamantane-2,4'-[3,1]benzoxazine]

2'-(trifluoromethyl)spiro[adamantane-2,4'-[3,1]benzoxazine]

CAS: 400074-01-3

Formula: C18H18F3NO

SMILES: FC(F)(F)C1=NC2=CC=CC=C2C2(O1)C1CC3CC(C1)CC2C3

IUPAC: 2'-(trifluoromethyl)spiro[adamantane-2,4'-[3,1]benzoxazine]

InChI: InChI=1S/C18H18F3NO/c19-18(20,21)16-22-15-4-2-1-3-14(15)17(23-16)12-6-10-5-11(8-12)9-13(17)7-10/h1-4,10-13H,5-9H2

Composition: C (67.28%), H (5.65%), F (17.74%), N (4.36%), O (4.98%)

Molar Mass: 321.343

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	321.134048693
Formal Charge	0
FSP3	0.61
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LGLOOGYFJZYLMM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	81.33
Topological Polar Surface Area	21.59
Polarizability	30.12
Ring Count	5
Rotatable Bond Count	1

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90%	<2 Days	400074-01-3		$51.35-$86.31$51.35$63.37$86.31