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

C10H16FNO2 — CID 162342113

IUPACethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)[C@]12CCCN1C[C@@H](F)C2
InChIInChI=1S/C10H16FNO2/c1-2-14-9(13)10-4-3-5-12(10)7-8(11)6-10/h8H,2-7H2,1H3/t8-,10+/m0/s1
InChIKeyBJARZHUOZVOTQI-WCBMZHEXSA-N
MW201.24 g/mol
LogP1.13
Rot. Bonds2

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

ethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (PubChem CID 162342113) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is ethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
PubChem CID162342113
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Nameethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)[C@]12CCCN1C[C@@H](F)C2
InChIInChI=1S/C10H16FNO2/c1-2-14-9(13)10-4-3-5-12(10)7-8(11)6-10/h8H,2-7H2,1H3/t8-,10+/m0/s1
InChIKeyBJARZHUOZVOTQI-WCBMZHEXSA-N
XLogP1.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The IUPAC name of ethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (CID 162342113) is ethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The canonical SMILES for ethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is CCOC(=O)[C@]12CCCN1C[C@@H](F)C2.
What is the InChIKey of ethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The InChIKey is BJARZHUOZVOTQI-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-2-14-9(13)10-4-3-5-12(10)7-8(11)6-10/h8H,2-7H2,1H3/t8-,10+/m0/s1.
What are the key properties of ethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
ethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate has a molecular weight of 201.24 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 162342113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).