[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium

C20H20FS+ — CID 142174226

IUPAC[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium
SMILESC/C=C\C(=C/C=C(\C)F)[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20FS/c1-3-10-18(16-15-17(2)21)22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h3-16H,1-2H3/q+1/b10-3-,17-15+,18-16+
InChIKeyRRFQHMBXSRGQKV-LQXBJWCASA-N
MW311.45 g/mol
LogP6.06
Rot. Bonds5

About [(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium

[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium (PubChem CID 142174226) has the molecular formula C20H20FS+ and a molecular weight of 311.45 g/mol. Its IUPAC name is [(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium.

Molecular Properties

Compound Name[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium
PubChem CID142174226
Molecular FormulaC20H20FS+
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium
SMILESC/C=C\C(=C/C=C(\C)F)[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20FS/c1-3-10-18(16-15-17(2)21)22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h3-16H,1-2H3/q+1/b10-3-,17-15+,18-16+
InChIKeyRRFQHMBXSRGQKV-LQXBJWCASA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl sulfide
CID 8766
Diphenyl sulfoxide
CID 13679
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
(Ethylthio)benzene
CID 12144
Phenyl propyl sulfide
CID 13407
1,1'-(Methylenebis(thio))bis(benzene)
CID 77097
4,4'-Thiobisbenzenethiol
CID 619483
Benzene, (butylthio)-
CID 136905
S,S-Diphenylsulfilimine
CID 608422
Tris(phenylthio)methane
CID 615706
Methyldiphenylsulphonium tetrafluoroborate(1-)
CID 2758717
S,S-Diphenylsulfilimine Monohydrate
CID 11435938

Frequently Asked Questions

What is the IUPAC name of [(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium?
The IUPAC name of [(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium (CID 142174226) is [(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium.
What is the SMILES notation for [(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium?
The canonical SMILES for [(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium is C/C=C\C(=C/C=C(\C)F)[S+](c1ccccc1)c1ccccc1.
What is the InChIKey of [(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium?
The InChIKey is RRFQHMBXSRGQKV-LQXBJWCASA-N. The full InChI is InChI=1S/C20H20FS/c1-3-10-18(16-15-17(2)21)22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h3-16H,1-2H3/q+1/b10-3-,17-15+,18-16+.
What are the key properties of [(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium?
[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium has a molecular weight of 311.45 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium is sourced from PubChem (CID 142174226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).