1-(tert-butoxy)-4-(trifluoromethyl)benzene

1-(tert-butoxy)-4-(trifluoromethyl)benzene

CAS: 16222-44-9

Formula: C11H13F3O

SMILES: CC(C)(C)OC1=CC=C(C=C1)C(F)(F)F

IUPAC: 1-(tert-butoxy)-4-(trifluoromethyl)benzene

InChI: InChI=1S/C11H13F3O/c1-10(2,3)15-9-6-4-8(5-7-9)11(12,13)14/h4-7H,1-3H3

Composition: C (60.55%), H (6.00%), F (26.12%), O (7.33%)

Molar Mass: 218.219

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.091849528
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	YXTJJRXJNYHJPU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.3
Topological Polar Surface Area	9.23
Polarizability	19.45
Ring Count	1
Rotatable Bond Count	3

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