pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane

C8H13F5S — CID 143330422

IUPACpentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane
SMILESC/C=C\CC/C(=C\C)S(F)(F)(F)(F)F
InChIInChI=1S/C8H13F5S/c1-3-5-6-7-8(4-2)14(9,10,11,12)13/h3-5H,6-7H2,1-2H3/b5-3-,8-4+
InChIKeyNPELHBNPIDACLA-VOGDQUTBSA-N
MW236.25 g/mol
LogP5.55
Rot. Bonds4

About pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane

pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane (PubChem CID 143330422) has the molecular formula C8H13F5S and a molecular weight of 236.25 g/mol. Its IUPAC name is pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane
PubChem CID143330422
Molecular FormulaC8H13F5S
Molecular Weight236.25 g/mol
Exact Mass236.07
IUPAC Namepentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane
SMILESC/C=C\CC/C(=C\C)S(F)(F)(F)(F)F
InChIInChI=1S/C8H13F5S/c1-3-5-6-7-8(4-2)14(9,10,11,12)13/h3-5H,6-7H2,1-2H3/b5-3-,8-4+
InChIKeyNPELHBNPIDACLA-VOGDQUTBSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5Z)-hepta-1,5-dien-2-ol
CID 89297619
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
(Z)-1,1,1-trifluorohept-5-en-2-one
CID 145337030
(2E,6Z)-3-methylsulfonylocta-2,6-diene
CID 89322028
ethane;(5E)-2-methylhepta-1,5-diene
CID 143084582
hex-4-enethioic S-acid
CID 91532049
(1Z,5Z)-hepta-1,5-dien-1-amine
CID 152891623
(2Z,6E,10E,14E,18E,22Z)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene
CID 102073218
2,3-dimethylocta-2,6-dien-1-ol
CID 173476687
6,7-dimethyldeca-2,6-diene
CID 91199113

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane?
The IUPAC name of pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane (CID 143330422) is pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane is C/C=C\CC/C(=C\C)S(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane?
The InChIKey is NPELHBNPIDACLA-VOGDQUTBSA-N. The full InChI is InChI=1S/C8H13F5S/c1-3-5-6-7-8(4-2)14(9,10,11,12)13/h3-5H,6-7H2,1-2H3/b5-3-,8-4+.
What are the key properties of pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane?
pentafluoro-[(2E,6Z)-octa-2,6-dien-3-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-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane is sourced from PubChem (CID 143330422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).