3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine

C11H18FNO2 — CID 144854899

IUPAC3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine
SMILESCO/C(C)=C(/C=C(\C)F)OC1CCNC1
InChIInChI=1S/C11H18FNO2/c1-8(12)6-11(9(2)14-3)15-10-4-5-13-7-10/h6,10,13H,4-5,7H2,1-3H3/b8-6+,11-9-
InChIKeyPFYLBAIECGSGDA-RVNZKKONSA-N
MW215.27 g/mol
LogP2.12
Rot. Bonds4

About 3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine

3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine (PubChem CID 144854899) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine.

Molecular Properties

Compound Name3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine
PubChem CID144854899
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine
SMILESCO/C(C)=C(/C=C(\C)F)OC1CCNC1
InChIInChI=1S/C11H18FNO2/c1-8(12)6-11(9(2)14-3)15-10-4-5-13-7-10/h6,10,13H,4-5,7H2,1-3H3/b8-6+,11-9-
InChIKeyPFYLBAIECGSGDA-RVNZKKONSA-N
XLogP2.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

4-[(1E,3E,5E)-1-amino-4-fluoro-5-methoxyhepta-1,3,5-trien-2-yl]oxy-1-propan-2-ylpyrrolidin-3-amine
CID 169831673
3-Hexa-1,3,5-trien-3-yloxypyrrolidine
CID 123371130
ethane;[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]-pyrrolidin-3-yloxidanium
CID 144854898
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypyrrolidine
CID 156375703
3-[(3-Methylbut-2-en-1-yl)oxy]pyrrolidine
CID 62328616
3-[(E)-but-2-enoxy]pyrrolidine
CID 62328784
3-But-2-enoxypyrrolidine
CID 76939860
N-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyethyl]butan-1-amine
CID 142258153

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine?
The IUPAC name of 3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine (CID 144854899) is 3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine.
What is the SMILES notation for 3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine?
The canonical SMILES for 3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine is CO/C(C)=C(/C=C(\C)F)OC1CCNC1.
What is the InChIKey of 3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine?
The InChIKey is PFYLBAIECGSGDA-RVNZKKONSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-8(12)6-11(9(2)14-3)15-10-4-5-13-7-10/h6,10,13H,4-5,7H2,1-3H3/b8-6+,11-9-.
What are the key properties of 3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine?
3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine has a molecular weight of 215.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine is sourced from PubChem (CID 144854899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).