6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline

C17H8F5N — CID 170319859

IUPAC6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline
SMILESFc1c(F)c(F)c(C=Cc2ccc3ncccc3c2)c(F)c1F
InChIInChI=1S/C17H8F5N/c18-13-11(14(19)16(21)17(22)15(13)20)5-3-9-4-6-12-10(8-9)2-1-7-23-12/h1-8H
InChIKeyDXOUPSASBGWCJT-UHFFFAOYSA-N
MW321.25 g/mol
LogP5.10
Rot. Bonds2

About 6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline

6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline (PubChem CID 170319859) has the molecular formula C17H8F5N and a molecular weight of 321.25 g/mol. Its IUPAC name is 6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline
PubChem CID170319859
Molecular FormulaC17H8F5N
Molecular Weight321.25 g/mol
Exact Mass321.06
IUPAC Name6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline
SMILESFc1c(F)c(F)c(C=Cc2ccc3ncccc3c2)c(F)c1F
InChIInChI=1S/C17H8F5N/c18-13-11(14(19)16(21)17(22)15(13)20)5-3-9-4-6-12-10(8-9)2-1-7-23-12/h1-8H
InChIKeyDXOUPSASBGWCJT-UHFFFAOYSA-N
XLogP5.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
6-(2-fluoroprop-1-enyl)quinoline
CID 91586945
6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline
CID 10426212
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
CID 13382828
N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903
(E)-N-methyl-3-quinolin-6-ylprop-2-enamide
CID 143759585
(E)-1-(4-methylsulfanylphenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353447
8-[2-[6-[2-[6-(2-quinolin-8-ylethenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 72565631
8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 59801174
(E)-1-(3-chlorophenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353592
N-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine
CID 2358606
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline?
The IUPAC name of 6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline (CID 170319859) is 6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline.
What is the SMILES notation for 6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline?
The canonical SMILES for 6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline is Fc1c(F)c(F)c(C=Cc2ccc3ncccc3c2)c(F)c1F.
What is the InChIKey of 6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline?
The InChIKey is DXOUPSASBGWCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F5N/c18-13-11(14(19)16(21)17(22)15(13)20)5-3-9-4-6-12-10(8-9)2-1-7-23-12/h1-8H.
What are the key properties of 6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline?
6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline has a molecular weight of 321.25 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline is sourced from PubChem (CID 170319859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).