4-chloro-5-fluorohepta-2,4-diene

C7H10ClF — CID 123768949

IUPAC4-chloro-5-fluorohepta-2,4-diene
SMILESCC=CC(Cl)=C(F)CC
InChIInChI=1S/C7H10ClF/c1-3-5-6(8)7(9)4-2/h3,5H,4H2,1-2H3
InChIKeySUZAMROAFZNRCV-UHFFFAOYSA-N
MW148.61 g/mol
LogP3.39
Rot. Bonds2

About 4-chloro-5-fluorohepta-2,4-diene

4-chloro-5-fluorohepta-2,4-diene (PubChem CID 123768949) has the molecular formula C7H10ClF and a molecular weight of 148.61 g/mol. Its IUPAC name is 4-chloro-5-fluorohepta-2,4-diene.

Molecular Properties

Compound Name4-chloro-5-fluorohepta-2,4-diene
PubChem CID123768949
Molecular FormulaC7H10ClF
Molecular Weight148.61 g/mol
Exact Mass148.05
IUPAC Name4-chloro-5-fluorohepta-2,4-diene
SMILESCC=CC(Cl)=C(F)CC
InChIInChI=1S/C7H10ClF/c1-3-5-6(8)7(9)4-2/h3,5H,4H2,1-2H3
InChIKeySUZAMROAFZNRCV-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.61
LogP ≤ 53.39
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 4-chloro-5-fluorohepta-2,4-diene?
The IUPAC name of 4-chloro-5-fluorohepta-2,4-diene (CID 123768949) is 4-chloro-5-fluorohepta-2,4-diene.
What is the SMILES notation for 4-chloro-5-fluorohepta-2,4-diene?
The canonical SMILES for 4-chloro-5-fluorohepta-2,4-diene is CC=CC(Cl)=C(F)CC.
What is the InChIKey of 4-chloro-5-fluorohepta-2,4-diene?
The InChIKey is SUZAMROAFZNRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF/c1-3-5-6(8)7(9)4-2/h3,5H,4H2,1-2H3.
What are the key properties of 4-chloro-5-fluorohepta-2,4-diene?
4-chloro-5-fluorohepta-2,4-diene has a molecular weight of 148.61 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluorohepta-2,4-diene is sourced from PubChem (CID 123768949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).