1-methyl-2,4-bis(trifluoromethyl)benzene

1-methyl-2,4-bis(trifluoromethyl)benzene

CAS: 136664-96-5

Formula: C9H6F6

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

IUPAC: 1-methyl-2,4-bis(trifluoromethyl)benzene

InChI: InChI=1S/C9H6F6/c1-5-2-3-6(8(10,11)12)4-7(5)9(13,14)15/h2-4H,1H3

Composition: C (47.38%), H (2.65%), F (49.97%)

Molar Mass: 228.137

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.037369171
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	ZBIUGZLUAUOIRQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.05
Topological Polar Surface Area	0
Polarizability	14.85
Ring Count	1
Rotatable Bond Count	2

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