3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine

C10H14FN — CID 138639931

IUPAC3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine
SMILESC=C/C=C\C(=C)C(F)C1CNC1
InChIInChI=1S/C10H14FN/c1-3-4-5-8(2)10(11)9-6-12-7-9/h3-5,9-10,12H,1-2,6-7H2/b5-4-
InChIKeyMDOHKIMPLMHODP-PLNGDYQASA-N
MW167.23 g/mol
LogP1.84
Rot. Bonds4

About 3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine

3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine (PubChem CID 138639931) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine.

Molecular Properties

Compound Name3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine
PubChem CID138639931
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine
SMILESC=C/C=C\C(=C)C(F)C1CNC1
InChIInChI=1S/C10H14FN/c1-3-4-5-8(2)10(11)9-6-12-7-9/h3-5,9-10,12H,1-2,6-7H2/b5-4-
InChIKeyMDOHKIMPLMHODP-PLNGDYQASA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine 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 3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine?
The IUPAC name of 3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine (CID 138639931) is 3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine.
What is the SMILES notation for 3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine?
The canonical SMILES for 3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine is C=C/C=C\C(=C)C(F)C1CNC1.
What is the InChIKey of 3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine?
The InChIKey is MDOHKIMPLMHODP-PLNGDYQASA-N. The full InChI is InChI=1S/C10H14FN/c1-3-4-5-8(2)10(11)9-6-12-7-9/h3-5,9-10,12H,1-2,6-7H2/b5-4-.
What are the key properties of 3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine?
3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine has a molecular weight of 167.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine is sourced from PubChem (CID 138639931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).