4-Propan-2-yloxy-2-(3-(trifluoromethyl)phenyl)-6-(4-(trifluoromethyl)phenyl)pyridine

HCID 178353

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Basic information

CAS: 136490-16-9
Standard SMILES: CC(C)Oc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccc(C(F)(F)F)c2)c1
InChIKey: MOIVNKCKHLLRDI-UHFFFAOYSA-N
Molecular formula: C22H17F6NO
Average molar mass: 425.4 g/mol
Monoisotopic mass: 425.12143314

Names & identifiers

Preferred name: 4-Propan-2-yloxy-2-(3-(trifluoromethyl)phenyl)-6-(4-(trifluoromethyl)phenyl)pyridine
IUPAC: 4-propan-2-yloxy-2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]pyridine

Names & synonyms

4-Propan-2-yloxy-2-(3-(trifluoromethyl)phenyl)-6-(4-(trifluoromethyl)phenyl)pyridine136490-16-9DTXSID201598224-[(Propan-2-yl)oxy]-2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]pyridine

Database identifiers

CAS: 136490-16-9
PubChem CID: 178353
DTXSID: DTXSID20159822

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 30
Formal charge: 0
Complexity: 541

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