(2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine

C14H22FNO — CID 175612607

IUPAC(2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine
SMILESC=C1CN2C/C(=C(\C)F)C[C@]2(COC(C)C)C1
InChIInChI=1S/C14H22FNO/c1-10(2)17-9-14-5-11(3)7-16(14)8-13(6-14)12(4)15/h10H,3,5-9H2,1-2,4H3/b13-12+/t14-/m0/s1
InChIKeyOYNIEAYYAGBMMX-FNDVETGQSA-N
MW239.33 g/mol
LogP3.06
Rot. Bonds3

About (2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine

(2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine (PubChem CID 175612607) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine.

Molecular Properties

Compound Name(2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine
PubChem CID175612607
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine
SMILESC=C1CN2C/C(=C(\C)F)C[C@]2(COC(C)C)C1
InChIInChI=1S/C14H22FNO/c1-10(2)17-9-14-5-11(3)7-16(14)8-13(6-14)12(4)15/h10H,3,5-9H2,1-2,4H3/b13-12+/t14-/m0/s1
InChIKeyOYNIEAYYAGBMMX-FNDVETGQSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine?
The IUPAC name of (2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine (CID 175612607) is (2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine.
What is the SMILES notation for (2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine?
The canonical SMILES for (2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine is C=C1CN2C/C(=C(\C)F)C[C@]2(COC(C)C)C1.
What is the InChIKey of (2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine?
The InChIKey is OYNIEAYYAGBMMX-FNDVETGQSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10(2)17-9-14-5-11(3)7-16(14)8-13(6-14)12(4)15/h10H,3,5-9H2,1-2,4H3/b13-12+/t14-/m0/s1.
What are the key properties of (2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine?
(2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine has a molecular weight of 239.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8S)-2-(1-fluoroethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine is sourced from PubChem (CID 175612607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).