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1-(trifluoromethoxy)-2-(trifluoromethyl)benzene

1-(trifluoromethoxy)-2-(trifluoromethyl)benzene

CAS: 80258-34-0

Formula: C8H4F6O

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

IUPAC: 1-(trifluoromethoxy)-2-(trifluoromethyl)benzene

InChI: InChI=1S/C8H4F6O/c9-7(10,11)5-3-1-2-4-6(5)15-8(12,13)14/h1-4H

Composition: C (41.76%), H (1.75%), F (49.54%), O (6.95%)

Molar Mass: 230.109

Atom Count: 19

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.016633727
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ARGPEMOBEZXYNR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.1
Topological Polar Surface Area 9.23
Polarizability 14.02
Ring Count 1
Rotatable Bond Count 3

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