(3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene

C8H10ClF — CID 88967186

IUPAC(3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene
SMILESC=C/C=C(Cl)\C(F)=C/CC
InChIInChI=1S/C8H10ClF/c1-3-5-7(9)8(10)6-4-2/h3,5-6H,1,4H2,2H3/b7-5+,8-6+
InChIKeyIPAWUFIYESVFPF-KQQUZDAGSA-N
MW160.62 g/mol
LogP3.56
Rot. Bonds3

About (3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene

(3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene (PubChem CID 88967186) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is (3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene
PubChem CID88967186
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name(3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene
SMILESC=C/C=C(Cl)\C(F)=C/CC
InChIInChI=1S/C8H10ClF/c1-3-5-7(9)8(10)6-4-2/h3,5-6H,1,4H2,2H3/b7-5+,8-6+
InChIKeyIPAWUFIYESVFPF-KQQUZDAGSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-4-fluoronona-3,5-diene
CID 21723812
(3Z)-3-fluorohexa-1,3-diene
CID 20065290
3-Fluorohexa-1,3-diene
CID 54475220
(2Z,4E)-5-fluorohepta-2,4-diene
CID 59014442
5-Fluorohepta-2,4-diene
CID 72490264
2-Chloro-3-fluorocyclohepta-1,3,5-triene
CID 85951948
3-Fluoroocta-2,4-diene
CID 86119882
(1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene
CID 87152714
(3E,5Z)-4-fluoroocta-3,5-diene
CID 87152869
5-Chloro-6-fluorohexa-1,4-diene
CID 87276545
(3Z,5E)-4-chloro-3-fluoro-6-methylocta-1,3,5-triene
CID 88067913
(3Z,5Z)-3-chloro-4-fluoronona-1,3,5-triene
CID 88067990

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene?
The IUPAC name of (3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene (CID 88967186) is (3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene?
The canonical SMILES for (3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene is C=C/C=C(Cl)\C(F)=C/CC.
What is the InChIKey of (3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene?
The InChIKey is IPAWUFIYESVFPF-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H10ClF/c1-3-5-7(9)8(10)6-4-2/h3,5-6H,1,4H2,2H3/b7-5+,8-6+.
What are the key properties of (3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene?
(3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene has a molecular weight of 160.62 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene is sourced from PubChem (CID 88967186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).