Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester

HCID 28595

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Basic information

CAS: 17564-81-7
Standard SMILES: CC1CC(OC(=O)COc2cccc(C(F)(F)F)c2)CC(C)(C)C1
InChIKey: GNZUTADJQOWUFX-UHFFFAOYSA-N
Molecular formula: C18H23F3O3
Average molar mass: 344.4 g/mol
Monoisotopic mass: 344.15992908

Names & identifiers

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

Names & synonyms

BRN 2008996(3-(Trifluoromethyl)phenoxy)acetic acid 3,3,5-trimethylcyclohexyl ester17564-81-7ACETIC ACID, (3-(TRIFLUOROMETHYL)PHENOXY)-, 3,3,5-TRIMETHYLCYCLOHEXYL ESTERRefChem:316194DTXSID709386893,3,5-trimethylcyclohexyl [3-(trifluoromethyl)phenoxy]acetate

Database identifiers

CAS: 17564-81-7
PubChem CID: 28595
DTXSID: DTXSID70938689

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 434

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