1-fluoro-3-(2,2,2-trifluoroethyl)benzene

1-fluoro-3-(2,2,2-trifluoroethyl)benzene

CAS: 81577-08-4

Formula: C8H6F4

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

IUPAC: 1-fluoro-3-(2,2,2-trifluoroethyl)benzene

InChI: InChI=1S/C8H6F4/c9-7-3-1-2-6(4-7)5-8(10,11)12/h1-4H,5H2

Composition: C (53.94%), H (3.40%), F (42.66%)

Molar Mass: 178.13

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.040562845
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	XEMUQSFXYQZZSO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.7
Topological Polar Surface Area	0
Polarizability	13.11
Ring Count	1
Rotatable Bond Count	2

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