(2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine

C10H18FNO — CID 164878470

IUPAC(2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCOC[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C10H18FNO/c1-2-13-8-10-4-3-5-12(10)7-9(11)6-10/h9H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyRDEMTUFXKIIAPJ-ZJUUUORDSA-N
MW187.26 g/mol
LogP1.60
Rot. Bonds3

About (2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine

(2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164878470) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164878470
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCOC[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C10H18FNO/c1-2-13-8-10-4-3-5-12(10)7-9(11)6-10/h9H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyRDEMTUFXKIIAPJ-ZJUUUORDSA-N
XLogP1.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

((2R,7aS)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118109097
((2S,7AR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118109098
[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109100
((2S,7AS)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118109101
(2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118121031
(2-Fluoro-2-methyltetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 137419734
(6S,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470022
(7S,7aS)-7-(2-fluoroethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470027
(6S,7aS)-6-fluoro-6-(fluoromethyl)-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470038
(6R,7S,7aS)-6-fluoro-7-(2-fluoroethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470039
(6S,7S,7aS)-7-ethyl-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470045
(6S,7S,7aS)-6-fluoro-7-(2-fluoroethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470046

Frequently Asked Questions

What is the IUPAC name of (2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (CID 164878470) is (2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is CCOC[C@@]12CCCN1C[C@H](F)C2.
What is the InChIKey of (2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is RDEMTUFXKIIAPJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18FNO/c1-2-13-8-10-4-3-5-12(10)7-9(11)6-10/h9H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
(2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 187.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164878470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).