2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine

C15H12F3NO — CID 15326047

IUPAC2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine
SMILESC=CCOc1cc(C(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C15H12F3NO/c1-2-8-20-14-10-12(15(16,17)18)9-13(19-14)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2
InChIKeyQRABNDKCGZWPDV-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.33
Rot. Bonds4

About 2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine

2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine (PubChem CID 15326047) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine
PubChem CID15326047
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine
SMILESC=CCOc1cc(C(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C15H12F3NO/c1-2-8-20-14-10-12(15(16,17)18)9-13(19-14)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2
InChIKeyQRABNDKCGZWPDV-UHFFFAOYSA-N
XLogP4.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-6-(trifluoromethyl)pyridine
CID 46739474
2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
CID 678565
2-(4-Ethyl-2,6-dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 9927970
2-Methyl-6-(3-p-tolyloxy-prop-1-ynyl)pyridine
CID 11481793
2-(2,6-Dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 21912293
2-(4-Fluoro-2,6-dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 21912361
4-(Methoxymethyl)-6-methyl-2-phenoxypyridine-3-carbonitrile
CID 709284
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
4-(4-Fluorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 789665
4,6-Dimethyl-2-phenoxy-nicotinonitrile
CID 946983
2-(Benzyloxy)pyridine
CID 295859
Picoxystrobin metabolite 2
CID 139597010

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine (CID 15326047) is 2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine is C=CCOc1cc(C(F)(F)F)cc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine?
The InChIKey is QRABNDKCGZWPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-2-8-20-14-10-12(15(16,17)18)9-13(19-14)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2.
What are the key properties of 2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine?
2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine has a molecular weight of 279.26 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 15326047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).