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

3-but-3-en-2-yl-N-but-1-ynyl-6-fluorohepta-3,5-dien-1-amine
CID 123226446
7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
CID 123264703
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine
CID 129210432
7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine
CID 130243324
(4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine
CID 134365657
(5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine
CID 137390775
3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine
CID 138638612
3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine
CID 138639931
(5Z)-N-ethyl-7-fluoro-3-methyl-4-methylideneocta-5,7-dien-1-amine
CID 142170706
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpentan-1-amine
CID 142528770
N-[(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)methyl]-4-methylpentan-1-amine
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).