oxo(3,3,4,4-tetrafluorobutyl)sulfanium

C4H5F4OS+ — CID 149341913

IUPACoxo(3,3,4,4-tetrafluorobutyl)sulfanium
SMILESO=[S+]CCC(F)(F)C(F)F
InChIInChI=1S/C4H5F4OS/c5-3(6)4(7,8)1-2-10-9/h3H,1-2H2/q+1
InChIKeyYEIMAHJZORPXBG-UHFFFAOYSA-N
MW177.14 g/mol
LogP1.71
Rot. Bonds4

About oxo(3,3,4,4-tetrafluorobutyl)sulfanium

oxo(3,3,4,4-tetrafluorobutyl)sulfanium (PubChem CID 149341913) has the molecular formula C4H5F4OS+ and a molecular weight of 177.14 g/mol. Its IUPAC name is oxo(3,3,4,4-tetrafluorobutyl)sulfanium.

Molecular Properties

Compound Nameoxo(3,3,4,4-tetrafluorobutyl)sulfanium
PubChem CID149341913
Molecular FormulaC4H5F4OS+
Molecular Weight177.14 g/mol
Exact Mass177.00
IUPAC Nameoxo(3,3,4,4-tetrafluorobutyl)sulfanium
SMILESO=[S+]CCC(F)(F)C(F)F
InChIInChI=1S/C4H5F4OS/c5-3(6)4(7,8)1-2-10-9/h3H,1-2H2/q+1
InChIKeyYEIMAHJZORPXBG-UHFFFAOYSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.14
LogP ≤ 51.71
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

3,3,4,4,4-Pentafluorobutane-2-sulfinate
CID 57112170
4,4-Difluorobutane-1-sulfinate
CID 57199635
4,4,4-Trifluorobutane-1-sulfinate
CID 57210855
1,1,1,3,3,3-Hexafluoro-2-methylsulfinylpropane
CID 57895622
2,2,4,4,4-Pentafluorobutane-1-sulfonate
CID 58070654
2,2,3,3,4,4,5,5-Octafluoropentane-1-sulfinyl chloride
CID 86033261
2-(2,2-Difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane
CID 87931297
3,4,4-Trifluorobutane-1-sulfinate
CID 91094557
3,3,4,4-Tetrafluorobutane-1-sulfinate
CID 91200397
3,3,4,4,4-Pentafluorobutane-1-sulfinate
CID 91457882
2,2,3,4,4,4-Hexafluorobutane-1-sulfinate
CID 118035288
3,3,3-Trifluoropropane-1-sulfinyl chloride
CID 145554444

Frequently Asked Questions

What is the IUPAC name of oxo(3,3,4,4-tetrafluorobutyl)sulfanium?
The IUPAC name of oxo(3,3,4,4-tetrafluorobutyl)sulfanium (CID 149341913) is oxo(3,3,4,4-tetrafluorobutyl)sulfanium.
What is the SMILES notation for oxo(3,3,4,4-tetrafluorobutyl)sulfanium?
The canonical SMILES for oxo(3,3,4,4-tetrafluorobutyl)sulfanium is O=[S+]CCC(F)(F)C(F)F.
What is the InChIKey of oxo(3,3,4,4-tetrafluorobutyl)sulfanium?
The InChIKey is YEIMAHJZORPXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4OS/c5-3(6)4(7,8)1-2-10-9/h3H,1-2H2/q+1.
What are the key properties of oxo(3,3,4,4-tetrafluorobutyl)sulfanium?
oxo(3,3,4,4-tetrafluorobutyl)sulfanium has a molecular weight of 177.14 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(3,3,4,4-tetrafluorobutyl)sulfanium is sourced from PubChem (CID 149341913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).