6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline

C24H13F4N — CID 171483329

IUPAC6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline
SMILESFc1ccc2nc(C(F)(F)F)c(C#Cc3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C24H13F4N/c25-18-12-14-21-20(15-18)22(17-9-5-2-6-10-17)19(23(29-21)24(26,27)28)13-11-16-7-3-1-4-8-16/h1-10,12,14-15H
InChIKeyLZRPCOMOGLXTGL-UHFFFAOYSA-N
MW391.37 g/mol
LogP6.46
Rot. Bonds1

About 6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline

6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline (PubChem CID 171483329) has the molecular formula C24H13F4N and a molecular weight of 391.37 g/mol. Its IUPAC name is 6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline
PubChem CID171483329
Molecular FormulaC24H13F4N
Molecular Weight391.37 g/mol
Exact Mass391.10
IUPAC Name6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline
SMILESFc1ccc2nc(C(F)(F)F)c(C#Cc3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C24H13F4N/c25-18-12-14-21-20(15-18)22(17-9-5-2-6-10-17)19(23(29-21)24(26,27)28)13-11-16-7-3-1-4-8-16/h1-10,12,14-15H
InChIKeyLZRPCOMOGLXTGL-UHFFFAOYSA-N
XLogP6.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.37
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline
CID 171483330
2,4-dichloro-6-fluoro-3-phenylquinoline
CID 2780763
6-fluoro-3,4-diphenylquinolin-2-amine
CID 164679662
9-phenyl-10-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene
CID 58730020
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline
CID 139651657
3,10,13,20-tetrakis(2-phenylethynyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 71519456
4-fluoro-1-(2-phenylethynyl)-2-[2-(2-phenylphenyl)ethynyl]benzene
CID 167529964
(Z)-3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-5-phenyl-4-(2-phenylethynyl)-1H-pyrrol-2-yl]-5-phenyl-4-(2-phenylethynyl)pyrrol-2-imine
CID 139094763
5-fluoro-2-(2-phenylethynyl)benzaldehyde
CID 46237651
1,3,5-trifluoro-2,4,6-tris(2-phenylethynyl)benzene
CID 71374842
3-[2-(10-phenylanthracen-9-yl)ethynyl]quinoline
CID 58730024

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline?
The IUPAC name of 6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline (CID 171483329) is 6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline?
The canonical SMILES for 6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline is Fc1ccc2nc(C(F)(F)F)c(C#Cc3ccccc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline?
The InChIKey is LZRPCOMOGLXTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F4N/c25-18-12-14-21-20(15-18)22(17-9-5-2-6-10-17)19(23(29-21)24(26,27)28)13-11-16-7-3-1-4-8-16/h1-10,12,14-15H.
What are the key properties of 6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline?
6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline has a molecular weight of 391.37 g/mol, XLogP of 6.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 171483329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).