5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol

C12H16F3NO2 — CID 162577167

IUPAC5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
SMILESOC1CN2C(CCC(C(F)(F)F)C2C2=CC2)C1O
InChIInChI=1S/C12H16F3NO2/c13-12(14,15)7-3-4-8-11(18)9(17)5-16(8)10(7)6-1-2-6/h1,7-11,17-18H,2-5H2
InChIKeyRNIHZLVLFZLAFB-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.06
Rot. Bonds1

About 5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol

5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol (PubChem CID 162577167) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol.

Molecular Properties

Compound Name5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
PubChem CID162577167
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
SMILESOC1CN2C(CCC(C(F)(F)F)C2C2=CC2)C1O
InChIInChI=1S/C12H16F3NO2/c13-12(14,15)7-3-4-8-11(18)9(17)5-16(8)10(7)6-1-2-6/h1,7-11,17-18H,2-5H2
InChIKeyRNIHZLVLFZLAFB-UHFFFAOYSA-N
XLogP1.06
TPSA43.70 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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 85416185
(3S,6S,7S,8R,8aS)-3-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
CID 10703323
3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496318
(1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
CID 45110036
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[[1-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]azetidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039716
3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496308
(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 101494997
1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one
CID 165490788
trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide
CID 154876152
3-[methyl-[(1-methylazetidin-3-yl)methyl]amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496382
(6R,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
CID 11401041
6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol
CID 19978361

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol?
The IUPAC name of 5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol (CID 162577167) is 5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol.
What is the SMILES notation for 5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol?
The canonical SMILES for 5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol is OC1CN2C(CCC(C(F)(F)F)C2C2=CC2)C1O.
What is the InChIKey of 5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol?
The InChIKey is RNIHZLVLFZLAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c13-12(14,15)7-3-4-8-11(18)9(17)5-16(8)10(7)6-1-2-6/h1,7-11,17-18H,2-5H2.
What are the key properties of 5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol?
5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol has a molecular weight of 263.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol is sourced from PubChem (CID 162577167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).