ethene;(2E,4Z)-3-fluorohexa-2,4-diene

C8H13F — CID 143779998

IUPACethene;(2E,4Z)-3-fluorohexa-2,4-diene
SMILESC/C=C\C(F)=C/C.C=C
InChIInChI=1S/C6H9F.C2H4/c1-3-5-6(7)4-2;1-2/h3-5H,1-2H3;1-2H2/b5-3-,6-4+;
InChIKeyIOWUVHPQCQBZFK-HQWJOSOMSA-N
MW128.19 g/mol
LogP3.24
Rot. Bonds1

About ethene;(2E,4Z)-3-fluorohexa-2,4-diene

ethene;(2E,4Z)-3-fluorohexa-2,4-diene (PubChem CID 143779998) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is ethene;(2E,4Z)-3-fluorohexa-2,4-diene.

Molecular Properties

Compound Nameethene;(2E,4Z)-3-fluorohexa-2,4-diene
PubChem CID143779998
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Nameethene;(2E,4Z)-3-fluorohexa-2,4-diene
SMILESC/C=C\C(F)=C/C.C=C
InChIInChI=1S/C6H9F.C2H4/c1-3-5-6(7)4-2;1-2/h3-5H,1-2H3;1-2H2/b5-3-,6-4+;
InChIKeyIOWUVHPQCQBZFK-HQWJOSOMSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene
CID 89381383
(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
CID 142091470
(2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene
CID 134192246
(E)-2-fluorobut-2-enal
CID 19090867
(Z)-2-fluorobut-2-enal
CID 643145
N-[(1E,3E)-3-fluoropenta-1,3-dienoxy]methanimine
CID 163709987
(2Z,4E)-4-fluorohexa-2,4-dienethial
CID 146259187
(2E)-3-fluorohepta-2,4-diene
CID 143797404
(4Z)-1,1-difluoro-3-methylidenehexa-1,4-diene
CID 144675274
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
(2E,4Z,6Z)-2,6-difluoroocta-2,4,6-triene
CID 143576318
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667

Frequently Asked Questions

What is the IUPAC name of ethene;(2E,4Z)-3-fluorohexa-2,4-diene?
The IUPAC name of ethene;(2E,4Z)-3-fluorohexa-2,4-diene (CID 143779998) is ethene;(2E,4Z)-3-fluorohexa-2,4-diene.
What is the SMILES notation for ethene;(2E,4Z)-3-fluorohexa-2,4-diene?
The canonical SMILES for ethene;(2E,4Z)-3-fluorohexa-2,4-diene is C/C=C\C(F)=C/C.C=C.
What is the InChIKey of ethene;(2E,4Z)-3-fluorohexa-2,4-diene?
The InChIKey is IOWUVHPQCQBZFK-HQWJOSOMSA-N. The full InChI is InChI=1S/C6H9F.C2H4/c1-3-5-6(7)4-2;1-2/h3-5H,1-2H3;1-2H2/b5-3-,6-4+;.
What are the key properties of ethene;(2E,4Z)-3-fluorohexa-2,4-diene?
ethene;(2E,4Z)-3-fluorohexa-2,4-diene has a molecular weight of 128.19 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(2E,4Z)-3-fluorohexa-2,4-diene is sourced from PubChem (CID 143779998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).