(2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene

C17H28F2 — CID 143078029

IUPAC(2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene
SMILESC/C=C(F)\C=C/CCCC.CCC/C=C\C=C(/C)F
InChIInChI=1S/C9H15F.C8H13F/c1-3-5-6-7-8-9(10)4-2;1-3-4-5-6-7-8(2)9/h4,7-8H,3,5-6H2,1-2H3;5-7H,3-4H2,1-2H3/b8-7-,9-4+;6-5-,8-7+
InChIKeyIJBQWJLIVVPBAH-SSQSTLAYSA-N
MW270.41 g/mol
LogP6.82
Rot. Bonds7

About (2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene

(2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene (PubChem CID 143078029) has the molecular formula C17H28F2 and a molecular weight of 270.41 g/mol. Its IUPAC name is (2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene
PubChem CID143078029
Molecular FormulaC17H28F2
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene
SMILESC/C=C(F)\C=C/CCCC.CCC/C=C\C=C(/C)F
InChIInChI=1S/C9H15F.C8H13F/c1-3-5-6-7-8-9(10)4-2;1-3-4-5-6-7-8(2)9/h4,7-8H,3,5-6H2,1-2H3;5-7H,3-4H2,1-2H3/b8-7-,9-4+;6-5-,8-7+
InChIKeyIJBQWJLIVVPBAH-SSQSTLAYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.41
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoroocta-1,3-diene
CID 150749668
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
(2E,4Z)-N-methyl-N-prop-1-en-2-ylnona-2,4-dien-2-amine
CID 134186425
hept-2-enoyl fluoride
CID 162347019
2,2-difluoro-3-methyldeca-3,5-diene
CID 123813972
1,1-dichloroocta-1,3-diene;palladium
CID 87090262
octadeca-2,11,13-trienoic acid
CID 173322272
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
pentadeca-4,10-diene
CID 54306056
(3Z,5E)-1-chlorodeca-1,3,5-triene
CID 138968587
(2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid
CID 143619943
(5Z)-dodeca-5,7-dien-5-ol
CID 87161212

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene?
The IUPAC name of (2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene (CID 143078029) is (2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene?
The canonical SMILES for (2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene is C/C=C(F)\C=C/CCCC.CCC/C=C\C=C(/C)F.
What is the InChIKey of (2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene?
The InChIKey is IJBQWJLIVVPBAH-SSQSTLAYSA-N. The full InChI is InChI=1S/C9H15F.C8H13F/c1-3-5-6-7-8-9(10)4-2;1-3-4-5-6-7-8(2)9/h4,7-8H,3,5-6H2,1-2H3;5-7H,3-4H2,1-2H3/b8-7-,9-4+;6-5-,8-7+.
What are the key properties of (2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene?
(2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene has a molecular weight of 270.41 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene is sourced from PubChem (CID 143078029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).