1-Methoxy-3-(trifluoromethyl)benzene

C₈H₇F₃OCAS 454-90-0176.14 g/mol

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Properties

Molecular formula: C₈H₇F₃O
Molar mass: 176.14 g/mol
Exact mass: 176.0449 Da
Density: 1.2342 g/mL (at 25 °C)
Melting point: −65 °C
Boiling point: 159.5 °C (at 754 Torr)
logP: 2.71Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

454-90-0

SMILES

COc1cccc(C(F)(F)F)c1

InChIKey

XHONYVFDZSPELQ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

6 names

Benzene, 1-methoxy-3-(trifluoromethyl)-
Anisole, m-(trifluoromethyl)-
m-(Trifluoromethyl)anisole
3-(Trifluoromethyl)anisole
NSC 86566
3-Methoxybenzotrifluoride

Work with 1-Methoxy-3-(trifluoromethyl)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

(-)-2,2,2-Trifluoro-1-phenylethanol10531-50-7 2,2,2-Trifluoro-1-phenylethanol340-04-5 2,2,2-Trifluoro-1-phenylethanol340-05-6 (+)-2,2,2-Trifluoro-1-phenylethanol340-06-7 2-(Trifluoromethyl)benzenemethanol346-06-5 3-(Trifluoromethyl)benzenemethanol349-75-7 4-(Trifluoromethyl)benzenemethanol349-95-1

Elsewhere

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