5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one

C13H20F2N2O2 — CID 106492809

IUPAC5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one
SMILESO=C1OC(CNC2CCN3CCCC3C2)CC1(F)F
InChIInChI=1S/C13H20F2N2O2/c14-13(15)7-11(19-12(13)18)8-16-9-3-5-17-4-1-2-10(17)6-9/h9-11,16H,1-8H2
InChIKeyFFPFISFXLFJRFD-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.15
Rot. Bonds3

About 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one

5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492809) has the molecular formula C13H20F2N2O2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one
PubChem CID106492809
Molecular FormulaC13H20F2N2O2
Molecular Weight274.31 g/mol
Exact Mass274.15
IUPAC Name5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one
SMILESO=C1OC(CNC2CCN3CCCC3C2)CC1(F)F
InChIInChI=1S/C13H20F2N2O2/c14-13(15)7-11(19-12(13)18)8-16-9-3-5-17-4-1-2-10(17)6-9/h9-11,16H,1-8H2
InChIKeyFFPFISFXLFJRFD-UHFFFAOYSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one with MolForge

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Related Compounds

N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 102897639
5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 106492476
5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one
CID 114118984
3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one
CID 106492758
(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
CID 103906359
N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847643
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile
CID 115652268
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78916571
3,3-difluoro-5-[[(2-hydroxy-3-methylbutyl)amino]methyl]oxolan-2-one
CID 106492932
N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115765456
N-[2-(2-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847588
N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 156782389

Frequently Asked Questions

What is the IUPAC name of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one (CID 106492809) is 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one is O=C1OC(CNC2CCN3CCCC3C2)CC1(F)F.
What is the InChIKey of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one?
The InChIKey is FFPFISFXLFJRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2/c14-13(15)7-11(19-12(13)18)8-16-9-3-5-17-4-1-2-10(17)6-9/h9-11,16H,1-8H2.
What are the key properties of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one?
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one has a molecular weight of 274.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).