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

C13H18F3NO — CID 70888128

IUPAC7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
SMILESCOC1CCn2c(cc(C(F)(F)F)c2C(C)C)C1
InChIInChI=1S/C13H18F3NO/c1-8(2)12-11(13(14,15)16)7-9-6-10(18-3)4-5-17(9)12/h7-8,10H,4-6H2,1-3H3
InChIKeyFOQWILHWVDCCPA-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.59
Rot. Bonds2

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

7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine (PubChem CID 70888128) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine.

Molecular Properties

Compound Name7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
PubChem CID70888128
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
SMILESCOC1CCn2c(cc(C(F)(F)F)c2C(C)C)C1
InChIInChI=1S/C13H18F3NO/c1-8(2)12-11(13(14,15)16)7-9-6-10(18-3)4-5-17(9)12/h7-8,10H,4-6H2,1-3H3
InChIKeyFOQWILHWVDCCPA-UHFFFAOYSA-N
XLogP3.59
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.59
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
7-Tert-butyl-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
CID 68074694
(3R)-3-[1-(3-methoxypropyl)-5-methyl-3-(trifluoromethyl)pyrrol-2-yl]piperidine
CID 70222905
(3R)-3-[1-(3-methoxypropyl)-5-methyl-4-(trifluoromethyl)pyrrol-2-yl]piperidine
CID 70223345
6-Methoxy-3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
CID 70826423

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
The IUPAC name of 7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine (CID 70888128) is 7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine.
What is the SMILES notation for 7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
The canonical SMILES for 7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine is COC1CCn2c(cc(C(F)(F)F)c2C(C)C)C1.
What is the InChIKey of 7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
The InChIKey is FOQWILHWVDCCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-8(2)12-11(13(14,15)16)7-9-6-10(18-3)4-5-17(9)12/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine has a molecular weight of 261.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine is sourced from PubChem (CID 70888128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).