2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite

C9H16FNO — CID 176661158

IUPAC2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite
SMILESFOCC12CCCCN1CCC2
InChIInChI=1S/C9H16FNO/c10-12-8-9-4-1-2-6-11(9)7-3-5-9/h1-8H2
InChIKeyUEKPBXGIWDATHP-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.91
Rot. Bonds2

About 2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite

2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite (PubChem CID 176661158) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite
PubChem CID176661158
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite
SMILESFOCC12CCCCN1CCC2
InChIInChI=1S/C9H16FNO/c10-12-8-9-4-1-2-6-11(9)7-3-5-9/h1-8H2
InChIKeyUEKPBXGIWDATHP-UHFFFAOYSA-N
XLogP1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Octahydroindolizin-8a-yl)methanol
CID 117272748
((2R,8AS)-2-fluorohexahydroindolizin-8a(1H)-yl)methanol
CID 163323427
2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 167161624
(3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine
CID 167216526
[(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 170376409
2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 171454002
(8aS)-7,7-difluoro-8a-(propan-2-yloxymethyl)-1,2,3,5,6,8-hexahydroindolizine
CID 171769711
[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 175977713
(2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 176610739
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite
CID 176661157
8a-Ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine
CID 122662743
[(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 125041398

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite?
The IUPAC name of 2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite (CID 176661158) is 2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite is FOCC12CCCCN1CCC2.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite?
The InChIKey is UEKPBXGIWDATHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-12-8-9-4-1-2-6-11(9)7-3-5-9/h1-8H2.
What are the key properties of 2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite?
2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite has a molecular weight of 173.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite is sourced from PubChem (CID 176661158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).