1-(benzyloxy)-3-(trifluoromethyl)benzene

1-(benzyloxy)-3-(trifluoromethyl)benzene

CAS: 70097-64-2

Formula: C14H11F3O

SMILES: FC(F)(F)C1=CC=CC(OCC2=CC=CC=C2)=C1

IUPAC: 1-(benzyloxy)-3-(trifluoromethyl)benzene

InChI: InChI=1S/C14H11F3O/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2

Composition: C (66.67%), H (4.40%), F (22.60%), O (6.34%)

Molar Mass: 252.236

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	252.076199463
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KFUXJOLIPMQFEL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.11
Topological Polar Surface Area	9.23
Polarizability	23.43
Ring Count	2
Rotatable Bond Count	4

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