4-fluoro-2-methyl-1-(trifluoromethyl)benzene

4-fluoro-2-methyl-1-(trifluoromethyl)benzene

CAS: 80245-26-7

Formula: C8H6F4

SMILES: CC1=CC(F)=CC=C1C(F)(F)F

IUPAC: 4-fluoro-2-methyl-1-(trifluoromethyl)benzene

InChI: InChI=1S/C8H6F4/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4H,1H3

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	XBUKSKTZQURUDT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.29
Topological Polar Surface Area	0
Polarizability	13.1
Ring Count	1
Rotatable Bond Count	1

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