4-ethenoxy-2-(trifluoromethyl)quinoline

C12H8F3NO — CID 162552111

IUPAC4-ethenoxy-2-(trifluoromethyl)quinoline
SMILESC=COc1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C12H8F3NO/c1-2-17-10-7-11(12(13,14)15)16-9-6-4-3-5-8(9)10/h2-7H,1H2
InChIKeyXFSFNXYBHRACGX-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.78
Rot. Bonds2

About 4-ethenoxy-2-(trifluoromethyl)quinoline

4-ethenoxy-2-(trifluoromethyl)quinoline (PubChem CID 162552111) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 4-ethenoxy-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-ethenoxy-2-(trifluoromethyl)quinoline
PubChem CID162552111
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name4-ethenoxy-2-(trifluoromethyl)quinoline
SMILESC=COc1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C12H8F3NO/c1-2-17-10-7-11(12(13,14)15)16-9-6-4-3-5-8(9)10/h2-7H,1H2
InChIKeyXFSFNXYBHRACGX-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-ethenoxy-2-(trifluoromethyl)quinoline (CID 162552111) is 4-ethenoxy-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-ethenoxy-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-ethenoxy-2-(trifluoromethyl)quinoline is C=COc1cc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of 4-ethenoxy-2-(trifluoromethyl)quinoline?
The InChIKey is XFSFNXYBHRACGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c1-2-17-10-7-11(12(13,14)15)16-9-6-4-3-5-8(9)10/h2-7H,1H2.
What are the key properties of 4-ethenoxy-2-(trifluoromethyl)quinoline?
4-ethenoxy-2-(trifluoromethyl)quinoline has a molecular weight of 239.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 162552111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).