3-[[4-(trifluoromethyl)phenyl]methyl]quinoline

C17H12F3N — CID 154466638

IUPAC3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
SMILESFC(F)(F)c1ccc(Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C17H12F3N/c18-17(19,20)15-7-5-12(6-8-15)9-13-10-14-3-1-2-4-16(14)21-11-13/h1-8,10-11H,9H2
InChIKeyMWLYERFNHXQMDX-UHFFFAOYSA-N
MW287.28 g/mol
LogP4.84
Rot. Bonds2

About 3-[[4-(trifluoromethyl)phenyl]methyl]quinoline

3-[[4-(trifluoromethyl)phenyl]methyl]quinoline (PubChem CID 154466638) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]quinoline.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
PubChem CID154466638
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
SMILESFC(F)(F)c1ccc(Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C17H12F3N/c18-17(19,20)15-7-5-12(6-8-15)9-13-10-14-3-1-2-4-16(14)21-11-13/h1-8,10-11H,9H2
InChIKeyMWLYERFNHXQMDX-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]quinoline?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]quinoline (CID 154466638) is 3-[[4-(trifluoromethyl)phenyl]methyl]quinoline.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methyl]quinoline?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methyl]quinoline is FC(F)(F)c1ccc(Cc2cnc3ccccc3c2)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methyl]quinoline?
The InChIKey is MWLYERFNHXQMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N/c18-17(19,20)15-7-5-12(6-8-15)9-13-10-14-3-1-2-4-16(14)21-11-13/h1-8,10-11H,9H2.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methyl]quinoline?
3-[[4-(trifluoromethyl)phenyl]methyl]quinoline has a molecular weight of 287.28 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methyl]quinoline is sourced from PubChem (CID 154466638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).