4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C16H14F3NO2 — CID 5295281

IUPAC4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)10-6-4-9(5-7-10)11-8-14(22)20-12-2-1-3-13(21)15(11)12/h4-7,11H,1-3,8H2,(H,20,22)
InChIKeyZUWZTXURWORWLZ-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.32
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 5295281) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID5295281
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)10-6-4-9(5-7-10)11-8-14(22)20-12-2-1-3-13(21)15(11)12/h4-7,11H,1-3,8H2,(H,20,22)
InChIKeyZUWZTXURWORWLZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 5295281) is 4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is O=C1CC(c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is ZUWZTXURWORWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)10-6-4-9(5-7-10)11-8-14(22)20-12-2-1-3-13(21)15(11)12/h4-7,11H,1-3,8H2,(H,20,22).
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 309.29 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 5295281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).