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

C11H16FNO2 — CID 167494874

IUPACethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CCN2C[C@H](F)C[C@@]12C(=O)OCC
InChIInChI=1S/C11H16FNO2/c1-3-15-10(14)11-6-9(12)7-13(11)5-4-8(11)2/h9H,2-7H2,1H3/t9-,11+/m1/s1
InChIKeyULWLWRJSVWSULV-KOLCDFICSA-N
MW213.25 g/mol
LogP1.29
Rot. Bonds2

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

ethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 167494874) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is ethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID167494874
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Nameethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CCN2C[C@H](F)C[C@@]12C(=O)OCC
InChIInChI=1S/C11H16FNO2/c1-3-15-10(14)11-6-9(12)7-13(11)5-4-8(11)2/h9H,2-7H2,1H3/t9-,11+/m1/s1
InChIKeyULWLWRJSVWSULV-KOLCDFICSA-N
XLogP1.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate?
The IUPAC name of ethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 167494874) is ethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate?
The canonical SMILES for ethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate is C=C1CCN2C[C@H](F)C[C@@]12C(=O)OCC.
What is the InChIKey of ethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate?
The InChIKey is ULWLWRJSVWSULV-KOLCDFICSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-3-15-10(14)11-6-9(12)7-13(11)5-4-8(11)2/h9H,2-7H2,1H3/t9-,11+/m1/s1.
What are the key properties of ethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate?
ethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 213.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,8S)-2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 167494874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).