[(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite

C9H13FS — CID 142113242

IUPAC[(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite
SMILESC/C=C\C(=C/C=C/SF)CC
InChIInChI=1S/C9H13FS/c1-3-6-9(4-2)7-5-8-11-10/h3,5-8H,4H2,1-2H3/b6-3-,8-5+,9-7-
InChIKeyVFZVVHJOQOCPDG-OMYXKEFPSA-N
MW172.27 g/mol
LogP4.03
Rot. Bonds4

About [(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite

[(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite (PubChem CID 142113242) has the molecular formula C9H13FS and a molecular weight of 172.27 g/mol. Its IUPAC name is [(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite.

Molecular Properties

Compound Name[(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite
PubChem CID142113242
Molecular FormulaC9H13FS
Molecular Weight172.27 g/mol
Exact Mass172.07
IUPAC Name[(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite
SMILESC/C=C\C(=C/C=C/SF)CC
InChIInChI=1S/C9H13FS/c1-3-6-9(4-2)7-5-8-11-10/h3,5-8H,4H2,1-2H3/b6-3-,8-5+,9-7-
InChIKeyVFZVVHJOQOCPDG-OMYXKEFPSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propenyl-1-propenyl disulfide
CID 129712287
(3E)-6-fluoro-3-methylhepta-3,5-dienethial
CID 123390603
[(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite
CID 129146729
[(3Z,5E)-5-(1,1-difluoroethyl)hepta-1,3,5-trien-2-yl] thiohypofluorite
CID 134242094
Pentafluoro-(4-methylcyclohexa-2,4-dien-1-yl)-lambda6-sulfane
CID 134405226
(5-Methylcyclohepta-1,4,6-trien-1-yl) thiohypofluorite
CID 141805829
[(2E,4Z)-2-ethenylhepta-2,4-dienyl] thiohypofluorite
CID 141824765
[(3E,5Z)-6-methylocta-1,3,5-trien-3-yl] thiohypofluorite
CID 142113091
(4-Fluorocyclohepta-1,3,5-trien-1-yl)methanethiol
CID 142981239
[(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite
CID 143597734
[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-lambda4-sulfane
CID 143617726
[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite
CID 143818483

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite?
The IUPAC name of [(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite (CID 142113242) is [(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite.
What is the SMILES notation for [(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite?
The canonical SMILES for [(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite is C/C=C\C(=C/C=C/SF)CC.
What is the InChIKey of [(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite?
The InChIKey is VFZVVHJOQOCPDG-OMYXKEFPSA-N. The full InChI is InChI=1S/C9H13FS/c1-3-6-9(4-2)7-5-8-11-10/h3,5-8H,4H2,1-2H3/b6-3-,8-5+,9-7-.
What are the key properties of [(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite?
[(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite has a molecular weight of 172.27 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite is sourced from PubChem (CID 142113242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).