Ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

Name: Ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₄FNO₃ — CID 118112290

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

SMILESCCOC(=O)[C@]12CCC(=O)N1C[C@@H](F)C2

InChIInChI=1S/C10H14FNO3/c1-2-15-9(14)10-4-3-8(13)12(10)6-7(11)5-10/h7H,2-6H2,1H3/t7-,10+/m0/s1

InChIKeyAMVVXLSSVZDGEQ-OIBJUYFYSA-N

MW215.22 g/mol

LogP0.65

Rot. Bonds2

About Ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

Ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 118112290) has the molecular formula C₁₀H₁₄FNO₃ and a molecular weight of 215.22 g/mol. Its IUPAC name is ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Name	Ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID	118112290
Molecular Formula	C₁₀H₁₄FNO₃
Molecular Weight	215.22 g/mol
Exact Mass	215.10
IUPAC Name	ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILES	CCOC(=O)[C@]12CCC(=O)N1C[C@@H](F)C2
InChI	InChI=1S/C10H14FNO3/c1-2-15-9(14)10-4-3-8(13)12(10)6-7(11)5-10/h7H,2-6H2,1H3/t7-,10+/m0/s1
InChIKey	AMVVXLSSVZDGEQ-OIBJUYFYSA-N
XLogP	0.65
TPSA	46.61 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	215.22
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?

The IUPAC name of Ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 118112290) is ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

What is the SMILES notation for Ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?

The canonical SMILES for Ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is CCOC(=O)[C@]12CCC(=O)N1C[C@@H](F)C2.

What is the InChIKey of Ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?

The InChIKey is AMVVXLSSVZDGEQ-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-2-15-9(14)10-4-3-8(13)12(10)6-7(11)5-10/h7H,2-6H2,1H3/t7-,10+/m0/s1.

What are the key properties of Ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?

Ethyl (2S,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 215.22 g/mol, XLogP of 0.65, 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-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 118112290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118112290 — identifiers, structure, computed properties (public domain)

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