1-chloro-3-fluoro-4-methyl-2-(2,2,2-trifluoroethyl)benzene

1-chloro-3-fluoro-4-methyl-2-(2,2,2-trifluoroethyl)benzene

CAS: 1099597-47-3

Formula: C9H7ClF4

SMILES: CC1=C(F)C(CC(F)(F)F)=C(Cl)C=C1

IUPAC: 1-chloro-3-fluoro-4-methyl-2-(2,2,2-trifluoroethyl)benzene

InChI: InChI=1S/C9H7ClF4/c1-5-2-3-7(10)6(8(5)11)4-9(12,13)14/h2-3H,4H2,1H3

Composition: C (47.71%), H (3.11%), Cl (15.64%), F (33.54%)

Molar Mass: 226.6

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.0172406
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	SVYWFYHMFHLJJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.55
Topological Polar Surface Area	0
Polarizability	16.83
Ring Count	1
Rotatable Bond Count	2

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