3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine

C11H16FN — CID 138639933

IUPAC3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine
SMILESC=C/C=C(\C=C/C)C(F)C1CNC1
InChIInChI=1S/C11H16FN/c1-3-5-9(6-4-2)11(12)10-7-13-8-10/h3-6,10-11,13H,1,7-8H2,2H3/b6-4-,9-5+
InChIKeyMLXQWOWYVCENNA-QUNSIMLLSA-N
MW181.25 g/mol
LogP2.23
Rot. Bonds4

About 3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine

3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine (PubChem CID 138639933) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine.

Molecular Properties

Compound Name3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine
PubChem CID138639933
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine
SMILESC=C/C=C(\C=C/C)C(F)C1CNC1
InChIInChI=1S/C11H16FN/c1-3-5-9(6-4-2)11(12)10-7-13-8-10/h3-6,10-11,13H,1,7-8H2,2H3/b6-4-,9-5+
InChIKeyMLXQWOWYVCENNA-QUNSIMLLSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 123226446
CID 123226446
CID 123264703
CID 123264703
CID 123382807
CID 123382807
CID 129210432
CID 129210432
CID 130243324
CID 130243324
CID 134365657
CID 134365657
CID 137390775
CID 137390775
CID 138638612
CID 138638612
CID 138639931
CID 138639931
CID 142170706
CID 142170706
CID 142528770
CID 142528770
CID 142528841
CID 142528841

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine?
The IUPAC name of 3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine (CID 138639933) is 3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine.
What is the SMILES notation for 3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine?
The canonical SMILES for 3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine is C=C/C=C(\C=C/C)C(F)C1CNC1.
What is the InChIKey of 3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine?
The InChIKey is MLXQWOWYVCENNA-QUNSIMLLSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-5-9(6-4-2)11(12)10-7-13-8-10/h3-6,10-11,13H,1,7-8H2,2H3/b6-4-,9-5+.
What are the key properties of 3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine?
3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine has a molecular weight of 181.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine is sourced from PubChem (CID 138639933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).