pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane

C8H13F5S — CID 143815686

IUPACpentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane
SMILESCC/C=C\C(=C/CC)S(F)(F)(F)(F)F
InChIInChI=1S/C8H13F5S/c1-3-5-7-8(6-4-2)14(9,10,11,12)13/h5-7H,3-4H2,1-2H3/b7-5-,8-6+
InChIKeyHEZCWEGLSFPEER-CGXWXWIYSA-N
MW236.25 g/mol
LogP5.55
Rot. Bonds4

About pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane

pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane (PubChem CID 143815686) has the molecular formula C8H13F5S and a molecular weight of 236.25 g/mol. Its IUPAC name is pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane
PubChem CID143815686
Molecular FormulaC8H13F5S
Molecular Weight236.25 g/mol
Exact Mass236.07
IUPAC Namepentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane
SMILESCC/C=C\C(=C/CC)S(F)(F)(F)(F)F
InChIInChI=1S/C8H13F5S/c1-3-5-7-8(6-4-2)14(9,10,11,12)13/h5-7H,3-4H2,1-2H3/b7-5-,8-6+
InChIKeyHEZCWEGLSFPEER-CGXWXWIYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.25
LogP ≤ 55.55
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

[(3E,5Z)-6-methylocta-1,3,5-trien-3-yl] thiohypofluorite
CID 142113091
[(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
Pentafluoro-(3-methylcyclohepta-1,3,6-trien-1-yl)-lambda6-sulfane
CID 143818499
[(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]-pentafluoro-lambda6-sulfane
CID 143857757
pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-lambda6-sulfane
CID 143935419
pentafluoro-[(3E,5Z)-octa-1,3,5-trien-4-yl]-lambda6-sulfane
CID 144144411
[(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite
CID 155135111
trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-lambda4-sulfane
CID 170367921
pentafluoro-[(3E)-7-methylocta-1,3,5-trien-3-yl]-lambda6-sulfane
CID 173580100
pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-lambda6-sulfane
CID 143330422
pentafluoro-[(E)-pent-2-en-3-yl]-lambda6-sulfane
CID 143330456

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane?
The IUPAC name of pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane (CID 143815686) is pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane is CC/C=C\C(=C/CC)S(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane?
The InChIKey is HEZCWEGLSFPEER-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H13F5S/c1-3-5-7-8(6-4-2)14(9,10,11,12)13/h5-7H,3-4H2,1-2H3/b7-5-,8-6+.
What are the key properties of pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane?
pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane has a molecular weight of 236.25 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-λ6-sulfane is sourced from PubChem (CID 143815686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).