(2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine

C13H24FNO — CID 176610739

IUPAC(2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILESCC(C)(C)OC[C@@]12CCCCN1C[C@H](F)C2
InChIInChI=1S/C13H24FNO/c1-12(2,3)16-10-13-6-4-5-7-15(13)9-11(14)8-13/h11H,4-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyGDVGKQUCMQZBGK-YPMHNXCESA-N
MW229.34 g/mol
LogP2.77
Rot. Bonds2

About (2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine

(2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine (PubChem CID 176610739) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is (2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine.

Molecular Properties

Compound Name(2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
PubChem CID176610739
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name(2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILESCC(C)(C)OC[C@@]12CCCCN1C[C@H](F)C2
InChIInChI=1S/C13H24FNO/c1-12(2,3)16-10-13-6-4-5-7-15(13)9-11(14)8-13/h11H,4-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyGDVGKQUCMQZBGK-YPMHNXCESA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 146618209
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
(6R,8aS)-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 169255375
(6R,8aS)-8a-(propan-2-yloxymethyl)-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 170420783
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
(2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine
CID 176610784
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
2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite
CID 176661158
(7S,7aS)-4-fluoro-1,7-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrano[3,4-b]pyrrole
CID 177009188
7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 68029557

Frequently Asked Questions

What is the IUPAC name of (2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine?
The IUPAC name of (2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine (CID 176610739) is (2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine.
What is the SMILES notation for (2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine?
The canonical SMILES for (2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine is CC(C)(C)OC[C@@]12CCCCN1C[C@H](F)C2.
What is the InChIKey of (2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine?
The InChIKey is GDVGKQUCMQZBGK-YPMHNXCESA-N. The full InChI is InChI=1S/C13H24FNO/c1-12(2,3)16-10-13-6-4-5-7-15(13)9-11(14)8-13/h11H,4-10H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of (2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine?
(2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine has a molecular weight of 229.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine is sourced from PubChem (CID 176610739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).