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1-fluoro-3-(trifluoromethoxy)benzene

1-fluoro-3-(trifluoromethoxy)benzene

CAS: 1077-01-6

Formula: C7H4F4O

SMILES: FC1=CC=CC(OC(F)(F)F)=C1

IUPAC: 1-fluoro-3-(trifluoromethoxy)benzene

InChI: InChI=1S/C7H4F4O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H

Composition: C (46.68%), H (2.24%), F (42.19%), O (8.88%)

Molar Mass: 180.102

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 180.019827401
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey AUKDFDQPJWJEDH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.34
Topological Polar Surface Area 9.23
Polarizability 12.22
Ring Count 1
Rotatable Bond Count 2

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