4-ethyl-2,8-bis(trifluoromethyl)quinoline

C13H9F6N — CID 88573891

IUPAC4-ethyl-2,8-bis(trifluoromethyl)quinoline
SMILESCCc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H9F6N/c1-2-7-6-10(13(17,18)19)20-11-8(7)4-3-5-9(11)12(14,15)16/h3-6H,2H2,1H3
InChIKeyAYNGWEHSKJCSNC-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.83
Rot. Bonds1

About 4-ethyl-2,8-bis(trifluoromethyl)quinoline

4-ethyl-2,8-bis(trifluoromethyl)quinoline (PubChem CID 88573891) has the molecular formula C13H9F6N and a molecular weight of 293.21 g/mol. Its IUPAC name is 4-ethyl-2,8-bis(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-ethyl-2,8-bis(trifluoromethyl)quinoline
PubChem CID88573891
Molecular FormulaC13H9F6N
Molecular Weight293.21 g/mol
Exact Mass293.06
IUPAC Name4-ethyl-2,8-bis(trifluoromethyl)quinoline
SMILESCCc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H9F6N/c1-2-7-6-10(13(17,18)19)20-11-8(7)4-3-5-9(11)12(14,15)16/h3-6H,2H2,1H3
InChIKeyAYNGWEHSKJCSNC-UHFFFAOYSA-N
XLogP4.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,8-bis(trifluoromethyl)quinoline?
The IUPAC name of 4-ethyl-2,8-bis(trifluoromethyl)quinoline (CID 88573891) is 4-ethyl-2,8-bis(trifluoromethyl)quinoline.
What is the SMILES notation for 4-ethyl-2,8-bis(trifluoromethyl)quinoline?
The canonical SMILES for 4-ethyl-2,8-bis(trifluoromethyl)quinoline is CCc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 4-ethyl-2,8-bis(trifluoromethyl)quinoline?
The InChIKey is AYNGWEHSKJCSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6N/c1-2-7-6-10(13(17,18)19)20-11-8(7)4-3-5-9(11)12(14,15)16/h3-6H,2H2,1H3.
What are the key properties of 4-ethyl-2,8-bis(trifluoromethyl)quinoline?
4-ethyl-2,8-bis(trifluoromethyl)quinoline has a molecular weight of 293.21 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,8-bis(trifluoromethyl)quinoline is sourced from PubChem (CID 88573891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).