6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine

C14H20F3NO2 — CID 71161183

IUPAC6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
SMILESCOC1Cc2cc(C(F)(F)F)c(C(C)C)n2CC1OC
InChIInChI=1S/C14H20F3NO2/c1-8(2)13-10(14(15,16)17)5-9-6-11(19-3)12(20-4)7-18(9)13/h5,8,11-12H,6-7H2,1-4H3
InChIKeyZRDZWDCXEAKXKT-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.22
Rot. Bonds3

About 6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine

6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine (PubChem CID 71161183) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine.

Molecular Properties

Compound Name6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
PubChem CID71161183
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
SMILESCOC1Cc2cc(C(F)(F)F)c(C(C)C)n2CC1OC
InChIInChI=1S/C14H20F3NO2/c1-8(2)13-10(14(15,16)17)5-9-6-11(19-3)12(20-4)7-18(9)13/h5,8,11-12H,6-7H2,1-4H3
InChIKeyZRDZWDCXEAKXKT-UHFFFAOYSA-N
XLogP3.22
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
[3-Methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-yl] acetate
CID 68074639
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
6-Methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
CID 70826423
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
[3-Propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-yl] acetate
CID 70888146
[6-(Hydroxymethyl)-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-yl]methanol
CID 89606744
[3-Methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-yl]methanol
CID 89606747
3-Methyl-7-propan-2-yloxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
CID 89610191

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
The IUPAC name of 6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine (CID 71161183) is 6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine.
What is the SMILES notation for 6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
The canonical SMILES for 6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine is COC1Cc2cc(C(F)(F)F)c(C(C)C)n2CC1OC.
What is the InChIKey of 6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
The InChIKey is ZRDZWDCXEAKXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-8(2)13-10(14(15,16)17)5-9-6-11(19-3)12(20-4)7-18(9)13/h5,8,11-12H,6-7H2,1-4H3.
What are the key properties of 6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine has a molecular weight of 291.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine is sourced from PubChem (CID 71161183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).