4-ethyl-6-(trifluoromethyl)quinoline

C12H10F3N — CID 123745234

IUPAC4-ethyl-6-(trifluoromethyl)quinoline
SMILESCCc1ccnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H10F3N/c1-2-8-5-6-16-11-4-3-9(7-10(8)11)12(13,14)15/h3-7H,2H2,1H3
InChIKeyDLHLNBLLPWGJIT-UHFFFAOYSA-N
MW225.21 g/mol
LogP3.82
Rot. Bonds1

About 4-ethyl-6-(trifluoromethyl)quinoline

4-ethyl-6-(trifluoromethyl)quinoline (PubChem CID 123745234) has the molecular formula C12H10F3N and a molecular weight of 225.21 g/mol. Its IUPAC name is 4-ethyl-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-ethyl-6-(trifluoromethyl)quinoline
PubChem CID123745234
Molecular FormulaC12H10F3N
Molecular Weight225.21 g/mol
Exact Mass225.08
IUPAC Name4-ethyl-6-(trifluoromethyl)quinoline
SMILESCCc1ccnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H10F3N/c1-2-8-5-6-16-11-4-3-9(7-10(8)11)12(13,14)15/h3-7H,2H2,1H3
InChIKeyDLHLNBLLPWGJIT-UHFFFAOYSA-N
XLogP3.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(trifluoromethyl)quinoline?
The IUPAC name of 4-ethyl-6-(trifluoromethyl)quinoline (CID 123745234) is 4-ethyl-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-ethyl-6-(trifluoromethyl)quinoline?
The canonical SMILES for 4-ethyl-6-(trifluoromethyl)quinoline is CCc1ccnc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 4-ethyl-6-(trifluoromethyl)quinoline?
The InChIKey is DLHLNBLLPWGJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N/c1-2-8-5-6-16-11-4-3-9(7-10(8)11)12(13,14)15/h3-7H,2H2,1H3.
What are the key properties of 4-ethyl-6-(trifluoromethyl)quinoline?
4-ethyl-6-(trifluoromethyl)quinoline has a molecular weight of 225.21 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 123745234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).