Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester

HCID 3045121

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Basic information

CAS: 58327-14-3
Standard SMILES: CC1CC(OC(=O)C(C)Oc2cccc(C(F)(F)F)c2)CC(C)(C)C1
InChIKey: IIDBOOYTZBNAEW-UHFFFAOYSA-N
Molecular formula: C19H25F3O3
Average molar mass: 358.4 g/mol
Monoisotopic mass: 358.17557914

Names & identifiers

Preferred name: Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester
IUPAC: (3,3,5-trimethylcyclohexyl) 2-[3-(trifluoromethyl)phenoxy]propanoate

Names & synonyms

BRN 23031252-(3-(Trifluoromethyl)phenoxy)propanoic acid 3,3,5-trimethylcyclohexyl ester58327-14-3Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl esterRefChem:374669DTXSID009738863,3,5-Trimethylcyclohexyl 2-[3-(trifluoromethyl)phenoxy]propanoate

Database identifiers

CAS: 58327-14-3
PubChem CID: 3045121
DTXSID: DTXSID00973886

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 461

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