6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine

C11H14F3NO — CID 70826423

IUPAC6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
SMILESCOC1CCc2cc(C(F)(F)F)c(C)n2C1
InChIInChI=1S/C11H14F3NO/c1-7-10(11(12,13)14)5-8-3-4-9(16-2)6-15(7)8/h5,9H,3-4,6H2,1-2H3
InChIKeyCICHOVBPFHZUKP-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.78
Rot. Bonds1

About 6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine

6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine (PubChem CID 70826423) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine.

Molecular Properties

Compound Name6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
PubChem CID70826423
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
SMILESCOC1CCc2cc(C(F)(F)F)c(C)n2C1
InChIInChI=1S/C11H14F3NO/c1-7-10(11(12,13)14)5-8-3-4-9(16-2)6-15(7)8/h5,9H,3-4,6H2,1-2H3
InChIKeyCICHOVBPFHZUKP-UHFFFAOYSA-N
XLogP2.78
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol
CID 68074527
3-Propan-2-yl-7-propan-2-yloxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
CID 68074530
Methyl 3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-7-carboxylate
CID 68074532
[3-Methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-yl] acetate
CID 68074639
3-Propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
CID 68074685
6,7-Dimethyl-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
CID 68074688
7-Methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
CID 68074692
6,7-Dimethoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
CID 68074693
1-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)-6,7-dihydroindole
CID 68215955
3-Methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
CID 70826424
3-Propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol
CID 70826426
7-Methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
CID 70888128

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
The IUPAC name of 6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine (CID 70826423) is 6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine.
What is the SMILES notation for 6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
The canonical SMILES for 6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine is COC1CCc2cc(C(F)(F)F)c(C)n2C1.
What is the InChIKey of 6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
The InChIKey is CICHOVBPFHZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7-10(11(12,13)14)5-8-3-4-9(16-2)6-15(7)8/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine has a molecular weight of 233.23 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine is sourced from PubChem (CID 70826423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).