ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline

C20H17F3N2 — CID 144941214

IUPACethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline
SMILESCC.FC(F)(F)c1ccc2c(-c3ccc4ccccc4n3)c[nH]c2c1
InChIInChI=1S/C18H11F3N2.C2H6/c19-18(20,21)12-6-7-13-14(10-22-17(13)9-12)16-8-5-11-3-1-2-4-15(11)23-16;1-2/h1-10,22H;1-2H3
InChIKeyBBKKKCPSCRACKA-UHFFFAOYSA-N
MW342.36 g/mol
LogP6.43
Rot. Bonds1

About ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline

ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline (PubChem CID 144941214) has the molecular formula C20H17F3N2 and a molecular weight of 342.36 g/mol. Its IUPAC name is ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline.

Molecular Properties

Compound Nameethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline
PubChem CID144941214
Molecular FormulaC20H17F3N2
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Nameethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline
SMILESCC.FC(F)(F)c1ccc2c(-c3ccc4ccccc4n3)c[nH]c2c1
InChIInChI=1S/C18H11F3N2.C2H6/c19-18(20,21)12-6-7-13-14(10-22-17(13)9-12)16-8-5-11-3-1-2-4-15(11)23-16;1-2/h1-10,22H;1-2H3
InChIKeyBBKKKCPSCRACKA-UHFFFAOYSA-N
XLogP6.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.36
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline
CID 153485154
2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline
CID 144941135
2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline
CID 118449025
2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline
CID 59859395
[2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine
CID 115114098
2-(1H-indol-3-yl)-6-methoxyquinoline
CID 18729469
5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 162536103
2-(7-chloro-1H-indol-3-yl)quinoline
CID 118449837
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid
CID 136985855
2,5-dimethyl-4-[6-(trifluoromethyl)quinolin-2-yl]aniline
CID 137425290
2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
CID 90246837

Frequently Asked Questions

What is the IUPAC name of ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline?
The IUPAC name of ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline (CID 144941214) is ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline.
What is the SMILES notation for ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline?
The canonical SMILES for ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline is CC.FC(F)(F)c1ccc2c(-c3ccc4ccccc4n3)c[nH]c2c1.
What is the InChIKey of ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline?
The InChIKey is BBKKKCPSCRACKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2.C2H6/c19-18(20,21)12-6-7-13-14(10-22-17(13)9-12)16-8-5-11-3-1-2-4-15(11)23-16;1-2/h1-10,22H;1-2H3.
What are the key properties of ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline?
ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline has a molecular weight of 342.36 g/mol, XLogP of 6.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline is sourced from PubChem (CID 144941214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).