1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium

C8H6F5S+ — CID 151139469

IUPAC1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium
SMILESFC(F)(F)C(F)(F)[SH+]c1ccccc1
InChIInChI=1S/C8H5F5S/c9-7(10,11)8(12,13)14-6-4-2-1-3-5-6/h1-5H/p+1
InChIKeyMVWOBQJDBOYETE-UHFFFAOYSA-O
MW229.19 g/mol
LogP3.02
Rot. Bonds2

About 1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium

1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium (PubChem CID 151139469) has the molecular formula C8H6F5S+ and a molecular weight of 229.19 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium
PubChem CID151139469
Molecular FormulaC8H6F5S+
Molecular Weight229.19 g/mol
Exact Mass229.01
IUPAC Name1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium
SMILESFC(F)(F)C(F)(F)[SH+]c1ccccc1
InChIInChI=1S/C8H5F5S/c9-7(10,11)8(12,13)14-6-4-2-1-3-5-6/h1-5H/p+1
InChIKeyMVWOBQJDBOYETE-UHFFFAOYSA-O
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 53.02
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': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

diphenylsulfanium;trifluoromethanesulfonate
CID 22247522
azane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene
CID 18759354
(1,1-dibromo-2,2,2-trifluoroethyl)benzene
CID 12702818
diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 22339024
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane
CID 134984617
1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate
CID 3796459
1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane
CID 175406720
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene
CID 66729803
(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene
CID 139761767
(4-hydroxyphenyl)-phenylsulfanium;trifluoromethanesulfonate
CID 158624567

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium?
The IUPAC name of 1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium (CID 151139469) is 1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium?
The canonical SMILES for 1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium is FC(F)(F)C(F)(F)[SH+]c1ccccc1.
What is the InChIKey of 1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium?
The InChIKey is MVWOBQJDBOYETE-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H5F5S/c9-7(10,11)8(12,13)14-6-4-2-1-3-5-6/h1-5H/p+1.
What are the key properties of 1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium?
1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium has a molecular weight of 229.19 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium is sourced from PubChem (CID 151139469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).