8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one

C9H12F3NO — CID 10679829

IUPAC8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one
SMILESO=C1CCCC2(C(F)(F)F)CCCN12
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8-4-1-3-7(14)13(8)6-2-5-8/h1-6H2
InChIKeyOXYMIPRJQCEMCE-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.09
Rot. Bonds

About 8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one

8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one (PubChem CID 10679829) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one.

Molecular Properties

Compound Name8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one
PubChem CID10679829
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one
SMILESO=C1CCCC2(C(F)(F)F)CCCN12
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8-4-1-3-7(14)13(8)6-2-5-8/h1-6H2
InChIKeyOXYMIPRJQCEMCE-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one?
The IUPAC name of 8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one (CID 10679829) is 8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one.
What is the SMILES notation for 8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one?
The canonical SMILES for 8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one is O=C1CCCC2(C(F)(F)F)CCCN12.
What is the InChIKey of 8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one?
The InChIKey is OXYMIPRJQCEMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c10-9(11,12)8-4-1-3-7(14)13(8)6-2-5-8/h1-6H2.
What are the key properties of 8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one?
8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one has a molecular weight of 207.19 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(trifluoromethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one is sourced from PubChem (CID 10679829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).