4-phenyl-2,6-bis(trifluoromethyl)quinoline

C17H9F6N — CID 135018944

IUPAC4-phenyl-2,6-bis(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nc(C(F)(F)F)cc(-c3ccccc3)c2c1
InChIInChI=1S/C17H9F6N/c18-16(19,20)11-6-7-14-13(8-11)12(10-4-2-1-3-5-10)9-15(24-14)17(21,22)23/h1-9H
InChIKeyVEYYJEHRFJLLRO-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.94
Rot. Bonds1

About 4-phenyl-2,6-bis(trifluoromethyl)quinoline

4-phenyl-2,6-bis(trifluoromethyl)quinoline (PubChem CID 135018944) has the molecular formula C17H9F6N and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-phenyl-2,6-bis(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-phenyl-2,6-bis(trifluoromethyl)quinoline
PubChem CID135018944
Molecular FormulaC17H9F6N
Molecular Weight341.25 g/mol
Exact Mass341.06
IUPAC Name4-phenyl-2,6-bis(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nc(C(F)(F)F)cc(-c3ccccc3)c2c1
InChIInChI=1S/C17H9F6N/c18-16(19,20)11-6-7-14-13(8-11)12(10-4-2-1-3-5-10)9-15(24-14)17(21,22)23/h1-9H
InChIKeyVEYYJEHRFJLLRO-UHFFFAOYSA-N
XLogP5.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,6-bis(trifluoromethyl)quinoline?
The IUPAC name of 4-phenyl-2,6-bis(trifluoromethyl)quinoline (CID 135018944) is 4-phenyl-2,6-bis(trifluoromethyl)quinoline.
What is the SMILES notation for 4-phenyl-2,6-bis(trifluoromethyl)quinoline?
The canonical SMILES for 4-phenyl-2,6-bis(trifluoromethyl)quinoline is FC(F)(F)c1ccc2nc(C(F)(F)F)cc(-c3ccccc3)c2c1.
What is the InChIKey of 4-phenyl-2,6-bis(trifluoromethyl)quinoline?
The InChIKey is VEYYJEHRFJLLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N/c18-16(19,20)11-6-7-14-13(8-11)12(10-4-2-1-3-5-10)9-15(24-14)17(21,22)23/h1-9H.
What are the key properties of 4-phenyl-2,6-bis(trifluoromethyl)quinoline?
4-phenyl-2,6-bis(trifluoromethyl)quinoline has a molecular weight of 341.25 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,6-bis(trifluoromethyl)quinoline is sourced from PubChem (CID 135018944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).