(3Z)-2-chloro-5-fluorohexa-1,3,5-triene

C6H6ClF — CID 88999368

IUPAC(3Z)-2-chloro-5-fluorohexa-1,3,5-triene
SMILESC=C(F)/C=C\C(=C)Cl
InChIInChI=1S/C6H6ClF/c1-5(7)3-4-6(2)8/h3-4H,1-2H2/b4-3-
InChIKeyNVGMGYHHZASVAF-ARJAWSKDSA-N
MW132.56 g/mol
LogP2.78
Rot. Bonds2

About (3Z)-2-chloro-5-fluorohexa-1,3,5-triene

(3Z)-2-chloro-5-fluorohexa-1,3,5-triene (PubChem CID 88999368) has the molecular formula C6H6ClF and a molecular weight of 132.56 g/mol. Its IUPAC name is (3Z)-2-chloro-5-fluorohexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2-chloro-5-fluorohexa-1,3,5-triene
PubChem CID88999368
Molecular FormulaC6H6ClF
Molecular Weight132.56 g/mol
Exact Mass132.01
IUPAC Name(3Z)-2-chloro-5-fluorohexa-1,3,5-triene
SMILESC=C(F)/C=C\C(=C)Cl
InChIInChI=1S/C6H6ClF/c1-5(7)3-4-6(2)8/h3-4H,1-2H2/b4-3-
InChIKeyNVGMGYHHZASVAF-ARJAWSKDSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.56
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-chloro-5-fluorohexa-1,3,5-triene?
The IUPAC name of (3Z)-2-chloro-5-fluorohexa-1,3,5-triene (CID 88999368) is (3Z)-2-chloro-5-fluorohexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2-chloro-5-fluorohexa-1,3,5-triene?
The canonical SMILES for (3Z)-2-chloro-5-fluorohexa-1,3,5-triene is C=C(F)/C=C\C(=C)Cl.
What is the InChIKey of (3Z)-2-chloro-5-fluorohexa-1,3,5-triene?
The InChIKey is NVGMGYHHZASVAF-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H6ClF/c1-5(7)3-4-6(2)8/h3-4H,1-2H2/b4-3-.
What are the key properties of (3Z)-2-chloro-5-fluorohexa-1,3,5-triene?
(3Z)-2-chloro-5-fluorohexa-1,3,5-triene has a molecular weight of 132.56 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-chloro-5-fluorohexa-1,3,5-triene is sourced from PubChem (CID 88999368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).