[2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol

C12H22FNO2 — CID 176594031

IUPAC[2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol
SMILESCC(C)OCC12CCCN1CC(F)(CO)C2
InChIInChI=1S/C12H22FNO2/c1-10(2)16-9-12-4-3-5-14(12)7-11(13,6-12)8-15/h10,15H,3-9H2,1-2H3
InChIKeyFNUAAENKZBTKQV-UHFFFAOYSA-N
MW231.31 g/mol
LogP1.35
Rot. Bonds4

About [2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol

[2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol (PubChem CID 176594031) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is [2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol.

Molecular Properties

Compound Name[2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol
PubChem CID176594031
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name[2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol
SMILESCC(C)OCC12CCCN1CC(F)(CO)C2
InChIInChI=1S/C12H22FNO2/c1-10(2)16-9-12-4-3-5-14(12)7-11(13,6-12)8-15/h10,15H,3-9H2,1-2H3
InChIKeyFNUAAENKZBTKQV-UHFFFAOYSA-N
XLogP1.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(6S,7aS)-6-fluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]methanol
CID 141470028
[(6R,7aS)-6-fluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]methanol
CID 141470043
(2-Fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
CID 167162165
(6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol
CID 167294905
[(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 168881128
[(2R,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 169255573
2-Fluoro-6-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169289827
[(2R,8S)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 169315221
[(2S,8S)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 169315423
[(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 169315641
(6R,8S)-6-fluoro-6-(methoxymethyl)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 169658807
[(2R,8S)-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 170342557

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol?
The IUPAC name of [2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol (CID 176594031) is [2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol.
What is the SMILES notation for [2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol?
The canonical SMILES for [2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol is CC(C)OCC12CCCN1CC(F)(CO)C2.
What is the InChIKey of [2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol?
The InChIKey is FNUAAENKZBTKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-10(2)16-9-12-4-3-5-14(12)7-11(13,6-12)8-15/h10,15H,3-9H2,1-2H3.
What are the key properties of [2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol?
[2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol has a molecular weight of 231.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-8-(propan-2-yloxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]methanol is sourced from PubChem (CID 176594031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).