4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline

C20H12F3NO — CID 15981679

IUPAC4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1cccc(-c2cc(-c3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C20H12F3NO/c21-20(22,23)14-6-3-5-13(11-14)18-12-16(19-9-4-10-25-19)15-7-1-2-8-17(15)24-18/h1-12H
InChIKeyKXQJKNBOOSXLMM-UHFFFAOYSA-N
MW339.32 g/mol
LogP6.18
Rot. Bonds2

About 4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline

4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline (PubChem CID 15981679) has the molecular formula C20H12F3NO and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline
PubChem CID15981679
Molecular FormulaC20H12F3NO
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1cccc(-c2cc(-c3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C20H12F3NO/c21-20(22,23)14-6-3-5-13(11-14)18-12-16(19-9-4-10-25-19)15-7-1-2-8-17(15)24-18/h1-12H
InChIKeyKXQJKNBOOSXLMM-UHFFFAOYSA-N
XLogP6.18
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline (CID 15981679) is 4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline is FC(F)(F)c1cccc(-c2cc(-c3ccco3)c3ccccc3n2)c1.
What is the InChIKey of 4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline?
The InChIKey is KXQJKNBOOSXLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO/c21-20(22,23)14-6-3-5-13(11-14)18-12-16(19-9-4-10-25-19)15-7-1-2-8-17(15)24-18/h1-12H.
What are the key properties of 4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline?
4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline has a molecular weight of 339.32 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 15981679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).