oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane

C6H6F8O3PS- — CID 3769735

IUPACoxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
SMILES[O-]P(=S)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H7F8O3PS/c7-3(8)5(11,12)1-16-18(15,19)17-2-6(13,14)4(9)10/h3-4H,1-2H2,(H,15,19)/p-1
InChIKeyDXOBDTYPPHTQLO-UHFFFAOYSA-M
MW341.14 g/mol
LogP2.41
Rot. Bonds8

About oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane

oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane (PubChem CID 3769735) has the molecular formula C6H6F8O3PS- and a molecular weight of 341.14 g/mol. Its IUPAC name is oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane.

Molecular Properties

Compound Nameoxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
PubChem CID3769735
Molecular FormulaC6H6F8O3PS-
Molecular Weight341.14 g/mol
Exact Mass340.97
IUPAC Nameoxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
SMILES[O-]P(=S)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H7F8O3PS/c7-3(8)5(11,12)1-16-18(15,19)17-2-6(13,14)4(9)10/h3-4H,1-2H2,(H,15,19)/p-1
InChIKeyDXOBDTYPPHTQLO-UHFFFAOYSA-M
XLogP2.41
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
CID 88680594
bromo bis(2,2,3,3-tetrafluoropropyl) phosphate
CID 130422635
2,2,3,3,3-pentafluoropropyl bis(2,2,3,3-tetrafluoropropyl) phosphate
CID 87338363
1,1,2,2-tetrafluoro-3-hydroperoxypropane
CID 162542165
bis(2,2,3,3-tetrafluoropropyl) 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl phosphate
CID 87338288
1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
CID 103474862
chloro-bis(2,2,3,3-tetrafluoropropoxy)phosphane
CID 13115958
octyl 2,2,3,3-tetrafluoropropyl 2,2,2-trifluoroethyl phosphate
CID 87338296
3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane
CID 151869532
2-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]ethanol
CID 97109325
2,2,3,3-tetrafluoropropoxysulfanyl hypochlorite
CID 15788054
4-O-(2,2,3,3,4,4,5,5-octafluoropentyl) 1-O-(2,2,3,3-tetrafluoropropyl) butanedioate
CID 91734901

Frequently Asked Questions

What is the IUPAC name of oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane?
The IUPAC name of oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane (CID 3769735) is oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane.
What is the SMILES notation for oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane?
The canonical SMILES for oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane is [O-]P(=S)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane?
The InChIKey is DXOBDTYPPHTQLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7F8O3PS/c7-3(8)5(11,12)1-16-18(15,19)17-2-6(13,14)4(9)10/h3-4H,1-2H2,(H,15,19)/p-1.
What are the key properties of oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane?
oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane has a molecular weight of 341.14 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane is sourced from PubChem (CID 3769735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).