methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium

C8H8F10O3PS+ — CID 139483955

IUPACmethyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium
SMILESC[P+](=O)OCCSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F10O3PS/c1-22(19)20-2-3-23-5(10,11)4(9)21-8(17,18)6(12,13)7(14,15)16/h4H,2-3H2,1H3/q+1
InChIKeyWGFRMMNQTJHDOV-UHFFFAOYSA-N
MW405.17 g/mol
LogP4.80
Rot. Bonds9

About methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium

methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium (PubChem CID 139483955) has the molecular formula C8H8F10O3PS+ and a molecular weight of 405.17 g/mol. Its IUPAC name is methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium.

Molecular Properties

Compound Namemethyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium
PubChem CID139483955
Molecular FormulaC8H8F10O3PS+
Molecular Weight405.17 g/mol
Exact Mass404.98
IUPAC Namemethyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium
SMILESC[P+](=O)OCCSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F10O3PS/c1-22(19)20-2-3-23-5(10,11)4(9)21-8(17,18)6(12,13)7(14,15)16/h4H,2-3H2,1H3/q+1
InChIKeyWGFRMMNQTJHDOV-UHFFFAOYSA-N
XLogP4.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.17
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
CID 163198787
1,4-bis[[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanyl]butane-2,3-diol
CID 121432787
1,4-dioxo-1,4-bis[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]butane-2-sulfonate
CID 142341751
(E)-1,4-dioxo-1,4-bis[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]but-2-ene-2-sulfonate
CID 153429855
bis((Z)-prop-1-ene-1,2,3-tricarboxylic acid);tris(rutherfordium);2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethanol
CID 157157622
1,4-bis(sulfanyl)butane-2,3-diol;1,4-bis[[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanyl]butane-2,3-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane
CID 157475648
1,4-bis[[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanyl]butane-2,3-diol;O-[2-oxo-4,5-bis[[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylmethyl]-1,3,2λ5-dioxaphospholan-2-yl]hydroxylamine
CID 162001095
2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane
CID 161399800
2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol
CID 139483924
methyl-oxo-[6,6,6-trifluoro-4,4-bis(trifluoromethyl)hexoxy]phosphanium
CID 58225249
2-[1,1,2-trifluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]ethoxy]acetic acid
CID 162396615
1,3-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propan-2-yl prop-2-enoate
CID 162752844

Frequently Asked Questions

What is the IUPAC name of methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium?
The IUPAC name of methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium (CID 139483955) is methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium.
What is the SMILES notation for methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium?
The canonical SMILES for methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium is C[P+](=O)OCCSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium?
The InChIKey is WGFRMMNQTJHDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F10O3PS/c1-22(19)20-2-3-23-5(10,11)4(9)21-8(17,18)6(12,13)7(14,15)16/h4H,2-3H2,1H3/q+1.
What are the key properties of methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium?
methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium has a molecular weight of 405.17 g/mol, XLogP of 4.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium is sourced from PubChem (CID 139483955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).