[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium

C23H17F8OS+ — CID 176874101

IUPAC[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H17F8OS/c24-20(25)22(28,29)23(30,31)21(26,27)15-32-16-11-13-19(14-12-16)33(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2/q+1
InChIKeyKDPDACLPWWKKLD-UHFFFAOYSA-N
MW493.44 g/mol
LogP7.33
Rot. Bonds9

About [4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium

[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium (PubChem CID 176874101) has the molecular formula C23H17F8OS+ and a molecular weight of 493.44 g/mol. Its IUPAC name is [4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium
PubChem CID176874101
Molecular FormulaC23H17F8OS+
Molecular Weight493.44 g/mol
Exact Mass493.09
IUPAC Name[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H17F8OS/c24-20(25)22(28,29)23(30,31)21(26,27)15-32-16-11-13-19(14-12-16)33(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2/q+1
InChIKeyKDPDACLPWWKKLD-UHFFFAOYSA-N
XLogP7.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.44
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,2-dimethylpropoxy)phenyl]-diphenylsulfanium
CID 160615561
bis(2,2,3,3,4,4,5,5-octafluoropentoxy)-triphenyl-λ5-phosphane
CID 10055686
diphenyl-[4-[3,3,3-trifluoro-2-(trifluoromethyl)-2-trimethylsilyloxypropoxy]phenyl]sulfanium
CID 140915980
[4-(2-ethoxy-3,3,3-trifluoro-2-methylpropoxy)phenyl]-diphenylsulfanium
CID 161025552
dimethyl 4-(2,2,3,3,4,4,5,5-octafluoropentoxy)benzene-1,2-dicarboxylate
CID 170857446
3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one
CID 19373678
4-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-1,2,4-triazol-5-one
CID 19373660
[4-[2-(2,2-difluoro-2-sulfoethoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 154594595
1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]ethanesulfonate
CID 154594518
1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene
CID 59641467
2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoroethanesulfonate
CID 154594594
[4-(2-ethoxy-3,3,3-trifluoro-2-methylpropoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 159209585

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium?
The IUPAC name of [4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium (CID 176874101) is [4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium.
What is the SMILES notation for [4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium?
The canonical SMILES for [4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium is FC(F)C(F)(F)C(F)(F)C(F)(F)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium?
The InChIKey is KDPDACLPWWKKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F8OS/c24-20(25)22(28,29)23(30,31)21(26,27)15-32-16-11-13-19(14-12-16)33(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2/q+1.
What are the key properties of [4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium?
[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium has a molecular weight of 493.44 g/mol, XLogP of 7.33, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-diphenylsulfanium is sourced from PubChem (CID 176874101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).