4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine

C11H17FIN — CID 134365563

IUPAC4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine
SMILESC/C(F)=C\C=C(/C)C1CCN(I)CC1
InChIInChI=1S/C11H17FIN/c1-9(3-4-10(2)12)11-5-7-14(13)8-6-11/h3-4,11H,5-8H2,1-2H3/b9-3+,10-4+
InChIKeyJDQMKWNTHBWMEJ-LQIBPGRFSA-N
MW309.17 g/mol
LogP3.87
Rot. Bonds2

About 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine

4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine (PubChem CID 134365563) has the molecular formula C11H17FIN and a molecular weight of 309.17 g/mol. Its IUPAC name is 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine.

Molecular Properties

Compound Name4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine
PubChem CID134365563
Molecular FormulaC11H17FIN
Molecular Weight309.17 g/mol
Exact Mass309.04
IUPAC Name4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine
SMILESC/C(F)=C\C=C(/C)C1CCN(I)CC1
InChIInChI=1S/C11H17FIN/c1-9(3-4-10(2)12)11-5-7-14(13)8-6-11/h3-4,11H,5-8H2,1-2H3/b9-3+,10-4+
InChIKeyJDQMKWNTHBWMEJ-LQIBPGRFSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine?
The IUPAC name of 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine (CID 134365563) is 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine.
What is the SMILES notation for 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine?
The canonical SMILES for 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine is C/C(F)=C\C=C(/C)C1CCN(I)CC1.
What is the InChIKey of 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine?
The InChIKey is JDQMKWNTHBWMEJ-LQIBPGRFSA-N. The full InChI is InChI=1S/C11H17FIN/c1-9(3-4-10(2)12)11-5-7-14(13)8-6-11/h3-4,11H,5-8H2,1-2H3/b9-3+,10-4+.
What are the key properties of 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine?
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine has a molecular weight of 309.17 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-iodopiperidine is sourced from PubChem (CID 134365563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).