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

C12H16F3NO2 — CID 70826426

IUPAC3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol
SMILESCC(C)c1c(C(F)(F)F)cc2n1CC(O)C(O)C2
InChIInChI=1S/C12H16F3NO2/c1-6(2)11-8(12(13,14)15)3-7-4-9(17)10(18)5-16(7)11/h3,6,9-10,17-18H,4-5H2,1-2H3
InChIKeyLSFMSGYQKRCQGT-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.91
Rot. Bonds1

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

3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol (PubChem CID 70826426) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol.

Molecular Properties

Compound Name3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol
PubChem CID70826426
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol
SMILESCC(C)c1c(C(F)(F)F)cc2n1CC(O)C(O)C2
InChIInChI=1S/C12H16F3NO2/c1-6(2)11-8(12(13,14)15)3-7-4-9(17)10(18)5-16(7)11/h3,6,9-10,17-18H,4-5H2,1-2H3
InChIKeyLSFMSGYQKRCQGT-UHFFFAOYSA-N
XLogP1.91
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,5-dimethyl-1-(2-methylpropyl)-1H-pyrrol-3-yl]-2,2,2-trifluoroethan-1-ol
CID 3500471
Bipolamine A
CID 156582309
Bipolamine B
CID 156582313
1-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]-2,2,2-trifluoroethan-1-ol
CID 3710392
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
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

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol?
The IUPAC name of 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol (CID 70826426) is 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol.
What is the SMILES notation for 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol?
The canonical SMILES for 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol is CC(C)c1c(C(F)(F)F)cc2n1CC(O)C(O)C2.
What is the InChIKey of 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol?
The InChIKey is LSFMSGYQKRCQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-6(2)11-8(12(13,14)15)3-7-4-9(17)10(18)5-16(7)11/h3,6,9-10,17-18H,4-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol?
3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol has a molecular weight of 263.26 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol is sourced from PubChem (CID 70826426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).