(2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene

C9H13F — CID 88997135

IUPAC(2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene
SMILESC/C=C\C=C/C=C/[C@H](C)F
InChIInChI=1S/C9H13F/c1-3-4-5-6-7-8-9(2)10/h3-9H,1-2H3/b4-3-,6-5-,8-7+/t9-/m0/s1
InChIKeyQRZAJVMQFFVTQJ-WTPVVKDRSA-N
MW140.20 g/mol
LogP3.03
Rot. Bonds3

About (2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene

(2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene (PubChem CID 88997135) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is (2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene
PubChem CID88997135
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name(2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene
SMILESC/C=C\C=C/C=C/[C@H](C)F
InChIInChI=1S/C9H13F/c1-3-4-5-6-7-8-9(2)10/h3-9H,1-2H3/b4-3-,6-5-,8-7+/t9-/m0/s1
InChIKeyQRZAJVMQFFVTQJ-WTPVVKDRSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.03
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

(1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene
CID 118612602
(1E,6Z)-1,3-difluoroocta-1,4,6-triene
CID 142242814
(3Z,5Z)-hepta-3,5-dien-2-amine
CID 139386653
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
(4E)-hexa-2,4-diene
CID 22435466
(2Z,4E)-6-methoxyhepta-2,4-diene
CID 58952970
(3Z,5Z)-2-methylhepta-3,5-dien-1-amine
CID 89062139
(3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid
CID 89217483
(3E,6E,8E)-5-methyldeca-1,3,6,8-tetraene
CID 132576789
[(1E,3Z,5Z)-hepta-1,3,5-trienyl]phosphane
CID 143594699
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
[(3E,5E)-hepta-3,5-dien-2-yl]oxy-trimethylsilane
CID 13461076

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene?
The IUPAC name of (2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene (CID 88997135) is (2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene.
What is the SMILES notation for (2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene?
The canonical SMILES for (2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene is C/C=C\C=C/C=C/[C@H](C)F.
What is the InChIKey of (2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene?
The InChIKey is QRZAJVMQFFVTQJ-WTPVVKDRSA-N. The full InChI is InChI=1S/C9H13F/c1-3-4-5-6-7-8-9(2)10/h3-9H,1-2H3/b4-3-,6-5-,8-7+/t9-/m0/s1.
What are the key properties of (2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene?
(2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene has a molecular weight of 140.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene is sourced from PubChem (CID 88997135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).