1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid

C10H14F3NO2 — CID 121457363

IUPAC1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid
SMILESO=C(O)C1CCC2C(C(F)(F)F)CCN2C1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)7-3-4-14-5-6(9(15)16)1-2-8(7)14/h6-8H,1-5H2,(H,15,16)
InChIKeyLKQUEBUEWLLHNJ-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.73
Rot. Bonds1

About 1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid

1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid (PubChem CID 121457363) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid.

Molecular Properties

Compound Name1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid
PubChem CID121457363
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid
SMILESO=C(O)C1CCC2C(C(F)(F)F)CCN2C1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)7-3-4-14-5-6(9(15)16)1-2-8(7)14/h6-8H,1-5H2,(H,15,16)
InChIKeyLKQUEBUEWLLHNJ-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid?
The IUPAC name of 1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid (CID 121457363) is 1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid.
What is the SMILES notation for 1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid?
The canonical SMILES for 1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid is O=C(O)C1CCC2C(C(F)(F)F)CCN2C1.
What is the InChIKey of 1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid?
The InChIKey is LKQUEBUEWLLHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)7-3-4-14-5-6(9(15)16)1-2-8(7)14/h6-8H,1-5H2,(H,15,16).
What are the key properties of 1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid?
1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid is sourced from PubChem (CID 121457363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).