3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline

C18H14F3N — CID 70792067

IUPAC3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline
SMILESCCc1ccc(-c2cnc3ccccc3c2)cc1C(F)(F)F
InChIInChI=1S/C18H14F3N/c1-2-12-7-8-13(10-16(12)18(19,20)21)15-9-14-5-3-4-6-17(14)22-11-15/h3-11H,2H2,1H3
InChIKeyDYSGVTROEVDRIT-UHFFFAOYSA-N
MW301.31 g/mol
LogP5.48
Rot. Bonds2

About 3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline

3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline (PubChem CID 70792067) has the molecular formula C18H14F3N and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline
PubChem CID70792067
Molecular FormulaC18H14F3N
Molecular Weight301.31 g/mol
Exact Mass301.11
IUPAC Name3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline
SMILESCCc1ccc(-c2cnc3ccccc3c2)cc1C(F)(F)F
InChIInChI=1S/C18H14F3N/c1-2-12-7-8-13(10-16(12)18(19,20)21)15-9-14-5-3-4-6-17(14)22-11-15/h3-11H,2H2,1H3
InChIKeyDYSGVTROEVDRIT-UHFFFAOYSA-N
XLogP5.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.31
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline (CID 70792067) is 3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline is CCc1ccc(-c2cnc3ccccc3c2)cc1C(F)(F)F.
What is the InChIKey of 3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline?
The InChIKey is DYSGVTROEVDRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N/c1-2-12-7-8-13(10-16(12)18(19,20)21)15-9-14-5-3-4-6-17(14)22-11-15/h3-11H,2H2,1H3.
What are the key properties of 3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline?
3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline has a molecular weight of 301.31 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 70792067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).