1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane

C22H15F9S — CID 175593186

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H15F9S/c23-19(24,21(27,28)29)20(25,26)22(30,31)32(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyNEOLZJBDTJMRED-UHFFFAOYSA-N
MW482.41 g/mol
LogP8.39
Rot. Bonds6

About 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane

1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane (PubChem CID 175593186) has the molecular formula C22H15F9S and a molecular weight of 482.41 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane
PubChem CID175593186
Molecular FormulaC22H15F9S
Molecular Weight482.41 g/mol
Exact Mass482.08
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H15F9S/c23-19(24,21(27,28)29)20(25,26)22(30,31)32(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyNEOLZJBDTJMRED-UHFFFAOYSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.41
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(triphenyl-lambda4-sulfanyl) 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 12067461
(NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 11653924
[benzyl(diphenyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 141110031
(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)methyl benzenesulfonate
CID 57352625
CID 57352622
CID 57352622
(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene
CID 139761767
[N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)anilino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87902046
diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 22339024
diphenylphosphane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 171922780
[dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 87263744
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;trimethyl(phenyl)azanium
CID 87848212
[naphthalen-1-yl(diphenyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87557411

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane (CID 175593186) is 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane?
The InChIKey is NEOLZJBDTJMRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F9S/c23-19(24,21(27,28)29)20(25,26)22(30,31)32(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane?
1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane has a molecular weight of 482.41 g/mol, XLogP of 8.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane is sourced from PubChem (CID 175593186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).