1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine

C13H22FNO — CID 142995078

IUPAC1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine
SMILESCC(C)=C(/C=C\CF)OCCN1CCCC1
InChIInChI=1S/C13H22FNO/c1-12(2)13(6-5-7-14)16-11-10-15-8-3-4-9-15/h5-6H,3-4,7-11H2,1-2H3/b6-5-
InChIKeySXINGFHVKNKMDS-WAYWQWQTSA-N
MW227.32 g/mol
LogP2.92
Rot. Bonds6

About 1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine

1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine (PubChem CID 142995078) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine
PubChem CID142995078
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine
SMILESCC(C)=C(/C=C\CF)OCCN1CCCC1
InChIInChI=1S/C13H22FNO/c1-12(2)13(6-5-7-14)16-11-10-15-8-3-4-9-15/h5-6H,3-4,7-11H2,1-2H3/b6-5-
InChIKeySXINGFHVKNKMDS-WAYWQWQTSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine 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 1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine?
The IUPAC name of 1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine (CID 142995078) is 1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine?
The canonical SMILES for 1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine is CC(C)=C(/C=C\CF)OCCN1CCCC1.
What is the InChIKey of 1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine?
The InChIKey is SXINGFHVKNKMDS-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H22FNO/c1-12(2)13(6-5-7-14)16-11-10-15-8-3-4-9-15/h5-6H,3-4,7-11H2,1-2H3/b6-5-.
What are the key properties of 1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine?
1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine has a molecular weight of 227.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine is sourced from PubChem (CID 142995078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).