3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one

C11H12F3NO — CID 59284218

IUPAC3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCc1c(C(F)(F)F)cc2n(c1=O)CCCC2
InChIInChI=1S/C11H12F3NO/c1-7-9(11(12,13)14)6-8-4-2-3-5-15(8)10(7)16/h6H,2-5H2,1H3
InChIKeyVFNSLVCIUFKHCA-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.51
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one

3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 59284218) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID59284218
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCc1c(C(F)(F)F)cc2n(c1=O)CCCC2
InChIInChI=1S/C11H12F3NO/c1-7-9(11(12,13)14)6-8-4-2-3-5-15(8)10(7)16/h6H,2-5H2,1H3
InChIKeyVFNSLVCIUFKHCA-UHFFFAOYSA-N
XLogP2.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one (CID 59284218) is 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one is Cc1c(C(F)(F)F)cc2n(c1=O)CCCC2.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is VFNSLVCIUFKHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7-9(11(12,13)14)6-8-4-2-3-5-15(8)10(7)16/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one?
3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 231.22 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 59284218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).