(2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine

C9H16FNO — CID 59825183

IUPAC(2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine
SMILESC=COC[C@@H]1CCCN1CCF
InChIInChI=1S/C9H16FNO/c1-2-12-8-9-4-3-6-11(9)7-5-10/h2,9H,1,3-8H2/t9-/m0/s1
InChIKeyWAISIWHWDINCFM-VIFPVBQESA-N
MW173.23 g/mol
LogP1.58
Rot. Bonds5

About (2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine

(2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine (PubChem CID 59825183) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine
PubChem CID59825183
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine
SMILESC=COC[C@@H]1CCCN1CCF
InChIInChI=1S/C9H16FNO/c1-2-12-8-9-4-3-6-11(9)7-5-10/h2,9H,1,3-8H2/t9-/m0/s1
InChIKeyWAISIWHWDINCFM-VIFPVBQESA-N
XLogP1.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine?
The IUPAC name of (2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine (CID 59825183) is (2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine is C=COC[C@@H]1CCCN1CCF.
What is the InChIKey of (2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine?
The InChIKey is WAISIWHWDINCFM-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16FNO/c1-2-12-8-9-4-3-6-11(9)7-5-10/h2,9H,1,3-8H2/t9-/m0/s1.
What are the key properties of (2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine?
(2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine has a molecular weight of 173.23 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine is sourced from PubChem (CID 59825183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).