4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine

C11H17ClFN — CID 129166592

IUPAC4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine
SMILESC/C=C(\C=C/CCl)C1(F)CCNCC1
InChIInChI=1S/C11H17ClFN/c1-2-10(4-3-7-12)11(13)5-8-14-9-6-11/h2-4,14H,5-9H2,1H3/b4-3-,10-2+
InChIKeyUJAMUGCJJXHIKF-MXSDMKSISA-N
MW217.72 g/mol
LogP2.82
Rot. Bonds3

About 4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine

4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine (PubChem CID 129166592) has the molecular formula C11H17ClFN and a molecular weight of 217.72 g/mol. Its IUPAC name is 4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine.

Molecular Properties

Compound Name4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine
PubChem CID129166592
Molecular FormulaC11H17ClFN
Molecular Weight217.72 g/mol
Exact Mass217.10
IUPAC Name4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine
SMILESC/C=C(\C=C/CCl)C1(F)CCNCC1
InChIInChI=1S/C11H17ClFN/c1-2-10(4-3-7-12)11(13)5-8-14-9-6-11/h2-4,14H,5-9H2,1H3/b4-3-,10-2+
InChIKeyUJAMUGCJJXHIKF-MXSDMKSISA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine?
The IUPAC name of 4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine (CID 129166592) is 4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine.
What is the SMILES notation for 4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine?
The canonical SMILES for 4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine is C/C=C(\C=C/CCl)C1(F)CCNCC1.
What is the InChIKey of 4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine?
The InChIKey is UJAMUGCJJXHIKF-MXSDMKSISA-N. The full InChI is InChI=1S/C11H17ClFN/c1-2-10(4-3-7-12)11(13)5-8-14-9-6-11/h2-4,14H,5-9H2,1H3/b4-3-,10-2+.
What are the key properties of 4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine?
4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine has a molecular weight of 217.72 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine is sourced from PubChem (CID 129166592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).