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

C10H12F3N — CID 70826424

IUPAC3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
SMILESCc1c(C(F)(F)F)cc2n1CCCC2
InChIInChI=1S/C10H12F3N/c1-7-9(10(11,12)13)6-8-4-2-3-5-14(7)8/h6H,2-5H2,1H3
InChIKeyAYOQHUFNFVQBBQ-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.15
Rot. Bonds

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

3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine (PubChem CID 70826424) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
PubChem CID70826424
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
SMILESCc1c(C(F)(F)F)cc2n1CCCC2
InChIInChI=1S/C10H12F3N/c1-7-9(10(11,12)13)6-8-4-2-3-5-14(7)8/h6H,2-5H2,1H3
InChIKeyAYOQHUFNFVQBBQ-UHFFFAOYSA-N
XLogP3.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Anibamine chloride
CID 54753646
6-[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
CID 62707283
6,8-bis[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
CID 62707287
8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
CID 70690765
8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
CID 70692902
6-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
CID 70694941
2,5-Dimethyl-1-phenethyl-1H-pyrrole
CID 2442134
((S)-2-Methyl-5,6,7,8-tetrahydro-indolizin-7-yl)-dipropyl-amine
CID 44329039
((S)-1-Methyl-5,6,7,8-tetrahydro-indolizin-7-yl)-dipropyl-amine
CID 44329057
((R)-1-Methyl-5,6,7,8-tetrahydro-indolizin-7-yl)-dipropyl-amine
CID 44329099
((R)-3-Methyl-5,6,7,8-tetrahydro-indolizin-7-yl)-dipropyl-amine
CID 44329282
((R)-2-Methyl-5,6,7,8-tetrahydro-indolizin-7-yl)-dipropyl-amine
CID 44329293

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
The IUPAC name of 3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine (CID 70826424) is 3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine is Cc1c(C(F)(F)F)cc2n1CCCC2.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
The InChIKey is AYOQHUFNFVQBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7-9(10(11,12)13)6-8-4-2-3-5-14(7)8/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine?
3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine has a molecular weight of 203.21 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine is sourced from PubChem (CID 70826424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).