Cas no 1214385-12-2 (1-(Trifluoromethyl)-3-methoxy-5-methylbenzene)

1-(Trifluoromethyl)-3-methoxy-5-methylbenzene is a fluorinated aromatic compound featuring a trifluoromethyl group, methoxy substituent, and methyl group on a benzene ring. Its unique structure imparts enhanced chemical stability and lipophilicity, making it valuable in pharmaceutical and agrochemical synthesis. The trifluoromethyl group contributes to electron-withdrawing effects, influencing reactivity in electrophilic substitutions, while the methoxy and methyl groups offer steric and electronic modulation. This compound is particularly useful as an intermediate in the development of bioactive molecules, where its fluorine-containing moiety can improve metabolic stability and binding affinity. Its well-defined reactivity profile allows for precise functionalization in complex synthetic routes.

1-(Trifluoromethyl)-3-methoxy-5-methylbenzene structure

1214385-12-2 structure

Product Name:1-(Trifluoromethyl)-3-methoxy-5-methylbenzene

CAS No:1214385-12-2

MF:C₉H₉F₃O

MW:190.162373304367

MDL:MFCD13185712

CID:1080106

PubChem ID:22978026

Update Time:2025-10-29

1-(Trifluoromethyl)-3-methoxy-5-methylbenzene Chemical and Physical Properties

Names and Identifiers

- 1-methoxy-3-methyl-5-(trifluoromethyl)benzene
- 3-METHYL-5-(TRIFLUOROMETHYL)ANISOLE
- SCHEMBL257565
- WFLRAHJYOFNKNK-UHFFFAOYSA-N
- 1- methoxy-3-methyl-5-(trifluoromethyl)benzene
- YYHAHSWQNBUNNN-UHFFFAOYSA-N
- AB91369
- MFCD13185712
- 1214385-12-2
- CS-0442539
- AS-41141
- 1-(trifluoroMethyl)-3-Methoxy-5-Methylbenzene
- AKOS027339289
- 1-(Trifluoromethyl)-3-methoxy-5-methylbenzene
- MDL： MFCD13185712
- Inchi： 1S/C9H9F3O/c1-6-3-7(9(10,11)12)5-8(4-6)13-2/h3-5H,1-2H3
- InChI Key： YYHAHSWQNBUNNN-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C=C(C)C=1)OC)(F)F

Computed Properties

Exact Mass: 190.061
Monoisotopic Mass: 190.061
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 13
Rotatable Bond Count: 2
Complexity: 167
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 9.2A^2
XLogP3: 3.1

1-(Trifluoromethyl)-3-methoxy-5-methylbenzene Pricemore >>

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TRC	T791820-100mg	1-(Trifluoromethyl)-3-methoxy-5-methylbenzene	1214385-12-2		100mg	$ 250.00	2022-06-02
abcr	AB446001-250 mg	1-(Trifluoromethyl)-3-methoxy-5-methylbenzene, min. 95%; .	1214385-12-2		250mg	€440.50	2023-04-22
abcr	AB446001-1 g	1-(Trifluoromethyl)-3-methoxy-5-methylbenzene, min. 95%; .	1214385-12-2		1g	€716.40	2023-04-22
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