(2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene

C8H12ClF — CID 167200057

IUPAC(2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene
SMILESCCC(/C=C\CCl)=C/CF
InChIInChI=1S/C8H12ClF/c1-2-8(5-7-10)4-3-6-9/h3-5H,2,6-7H2,1H3/b4-3-,8-5-
InChIKeyHKFGPOVKUPXHMI-UBNNFMAXSA-N
MW162.63 g/mol
LogP3.09
Rot. Bonds4

About (2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene

(2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene (PubChem CID 167200057) has the molecular formula C8H12ClF and a molecular weight of 162.63 g/mol. Its IUPAC name is (2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene
PubChem CID167200057
Molecular FormulaC8H12ClF
Molecular Weight162.63 g/mol
Exact Mass162.06
IUPAC Name(2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene
SMILESCCC(/C=C\CCl)=C/CF
InChIInChI=1S/C8H12ClF/c1-2-8(5-7-10)4-3-6-9/h3-5H,2,6-7H2,1H3/b4-3-,8-5-
InChIKeyHKFGPOVKUPXHMI-UBNNFMAXSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.63
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene?
The IUPAC name of (2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene (CID 167200057) is (2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene.
What is the SMILES notation for (2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene?
The canonical SMILES for (2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene is CCC(/C=C\CCl)=C/CF.
What is the InChIKey of (2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene?
The InChIKey is HKFGPOVKUPXHMI-UBNNFMAXSA-N. The full InChI is InChI=1S/C8H12ClF/c1-2-8(5-7-10)4-3-6-9/h3-5H,2,6-7H2,1H3/b4-3-,8-5-.
What are the key properties of (2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene?
(2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene has a molecular weight of 162.63 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene is sourced from PubChem (CID 167200057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).