(4Z)-3-chloro-4-fluorohexa-1,4-diene

C6H8ClF — CID 56996116

IUPAC(4Z)-3-chloro-4-fluorohexa-1,4-diene
SMILESC=CC(Cl)/C(F)=C/C
InChIInChI=1S/C6H8ClF/c1-3-5(7)6(8)4-2/h3-5H,1H2,2H3/b6-4-
InChIKeyZWLABNNQQMABBC-XQRVVYSFSA-N
MW134.58 g/mol
LogP2.65
Rot. Bonds2

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

(4Z)-3-chloro-4-fluorohexa-1,4-diene (PubChem CID 56996116) has the molecular formula C6H8ClF and a molecular weight of 134.58 g/mol. Its IUPAC name is (4Z)-3-chloro-4-fluorohexa-1,4-diene.

Molecular Properties

Compound Name(4Z)-3-chloro-4-fluorohexa-1,4-diene
PubChem CID56996116
Molecular FormulaC6H8ClF
Molecular Weight134.58 g/mol
Exact Mass134.03
IUPAC Name(4Z)-3-chloro-4-fluorohexa-1,4-diene
SMILESC=CC(Cl)/C(F)=C/C
InChIInChI=1S/C6H8ClF/c1-3-5(7)6(8)4-2/h3-5H,1H2,2H3/b6-4-
InChIKeyZWLABNNQQMABBC-XQRVVYSFSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.58
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-chloro-4-fluorohexa-1,4-diene?
The IUPAC name of (4Z)-3-chloro-4-fluorohexa-1,4-diene (CID 56996116) is (4Z)-3-chloro-4-fluorohexa-1,4-diene.
What is the SMILES notation for (4Z)-3-chloro-4-fluorohexa-1,4-diene?
The canonical SMILES for (4Z)-3-chloro-4-fluorohexa-1,4-diene is C=CC(Cl)/C(F)=C/C.
What is the InChIKey of (4Z)-3-chloro-4-fluorohexa-1,4-diene?
The InChIKey is ZWLABNNQQMABBC-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H8ClF/c1-3-5(7)6(8)4-2/h3-5H,1H2,2H3/b6-4-.
What are the key properties of (4Z)-3-chloro-4-fluorohexa-1,4-diene?
(4Z)-3-chloro-4-fluorohexa-1,4-diene has a molecular weight of 134.58 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-chloro-4-fluorohexa-1,4-diene is sourced from PubChem (CID 56996116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).