3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline

C18H12F3N — CID 172774821

IUPAC3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline
SMILESFC(F)(F)C(=Cc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H12F3N/c19-18(20,21)16(14-6-2-1-3-7-14)11-13-10-15-8-4-5-9-17(15)22-12-13/h1-12H
InChIKeyNLEDICMXEMTIGT-UHFFFAOYSA-N
MW299.30 g/mol
LogP5.34
Rot. Bonds2

About 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline

3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline (PubChem CID 172774821) has the molecular formula C18H12F3N and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline.

Molecular Properties

Compound Name3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline
PubChem CID172774821
Molecular FormulaC18H12F3N
Molecular Weight299.30 g/mol
Exact Mass299.09
IUPAC Name3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline
SMILESFC(F)(F)C(=Cc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H12F3N/c19-18(20,21)16(14-6-2-1-3-7-14)11-13-10-15-8-4-5-9-17(15)22-12-13/h1-12H
InChIKeyNLEDICMXEMTIGT-UHFFFAOYSA-N
XLogP5.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.30
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline?
The IUPAC name of 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline (CID 172774821) is 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline.
What is the SMILES notation for 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline?
The canonical SMILES for 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline is FC(F)(F)C(=Cc1cnc2ccccc2c1)c1ccccc1.
What is the InChIKey of 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline?
The InChIKey is NLEDICMXEMTIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N/c19-18(20,21)16(14-6-2-1-3-7-14)11-13-10-15-8-4-5-9-17(15)22-12-13/h1-12H.
What are the key properties of 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline?
3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline has a molecular weight of 299.30 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline is sourced from PubChem (CID 172774821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).