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

C12H18F3NO2 — CID 143205862

IUPACethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol
SMILESCC.Cc1c(C(F)(F)F)cc2n1CC(O)C(O)C2
InChIInChI=1S/C10H12F3NO2.C2H6/c1-5-7(10(11,12)13)2-6-3-8(15)9(16)4-14(5)6;1-2/h2,8-9,15-16H,3-4H2,1H3;1-2H3
InChIKeyJZNVIJNZODYRIE-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.12
Rot. Bonds

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

ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol (PubChem CID 143205862) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol.

Molecular Properties

Compound Nameethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol
PubChem CID143205862
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Nameethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol
SMILESCC.Cc1c(C(F)(F)F)cc2n1CC(O)C(O)C2
InChIInChI=1S/C10H12F3NO2.C2H6/c1-5-7(10(11,12)13)2-6-3-8(15)9(16)4-14(5)6;1-2/h2,8-9,15-16H,3-4H2,1H3;1-2H3
InChIKeyJZNVIJNZODYRIE-UHFFFAOYSA-N
XLogP2.12
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bipolamine A
CID 156582309
Bipolamine B
CID 156582313
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
6,7-Dimethoxy-3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine
CID 71161183

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol?
The IUPAC name of ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol (CID 143205862) is ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol.
What is the SMILES notation for ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol?
The canonical SMILES for ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol is CC.Cc1c(C(F)(F)F)cc2n1CC(O)C(O)C2.
What is the InChIKey of ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol?
The InChIKey is JZNVIJNZODYRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2.C2H6/c1-5-7(10(11,12)13)2-6-3-8(15)9(16)4-14(5)6;1-2/h2,8-9,15-16H,3-4H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol?
ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol has a molecular weight of 265.27 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol is sourced from PubChem (CID 143205862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).