1-methyl-4-(trifluoromethoxy)benzene

1-methyl-4-(trifluoromethoxy)benzene

CAS: 706-27-4

Formula: C8H7F3O

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

IUPAC: 1-methyl-4-(trifluoromethoxy)benzene

InChI: InChI=1S/C8H7F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3

Composition: C (54.55%), H (4.01%), F (32.36%), O (9.08%)

Molar Mass: 176.138

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.044899334
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JUXFXYQUXNXVAA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.17
Topological Polar Surface Area	9.23
Polarizability	13.99
Ring Count	1
Rotatable Bond Count	2

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