(1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene

C9H12ClF — CID 89143158

IUPAC(1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene
SMILESC=C/C(=C\C(F)=C\Cl)CCC
InChIInChI=1S/C9H12ClF/c1-3-5-8(4-2)6-9(11)7-10/h4,6-7H,2-3,5H2,1H3/b8-6+,9-7-
InChIKeyNFJPISJPBVAYKB-FFELTBSMSA-N
MW174.65 g/mol
LogP3.95
Rot. Bonds4

About (1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene

(1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene (PubChem CID 89143158) has the molecular formula C9H12ClF and a molecular weight of 174.65 g/mol. Its IUPAC name is (1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene.

Molecular Properties

Compound Name(1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene
PubChem CID89143158
Molecular FormulaC9H12ClF
Molecular Weight174.65 g/mol
Exact Mass174.06
IUPAC Name(1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene
SMILESC=C/C(=C\C(F)=C\Cl)CCC
InChIInChI=1S/C9H12ClF/c1-3-5-8(4-2)6-9(11)7-10/h4,6-7H,2-3,5H2,1H3/b8-6+,9-7-
InChIKeyNFJPISJPBVAYKB-FFELTBSMSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.65
LogP ≤ 53.95
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 (1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene?
The IUPAC name of (1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene (CID 89143158) is (1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene.
What is the SMILES notation for (1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene?
The canonical SMILES for (1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene is C=C/C(=C\C(F)=C\Cl)CCC.
What is the InChIKey of (1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene?
The InChIKey is NFJPISJPBVAYKB-FFELTBSMSA-N. The full InChI is InChI=1S/C9H12ClF/c1-3-5-8(4-2)6-9(11)7-10/h4,6-7H,2-3,5H2,1H3/b8-6+,9-7-.
What are the key properties of (1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene?
(1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene has a molecular weight of 174.65 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene is sourced from PubChem (CID 89143158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).