ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane

C5H9F4O2PS — CID 88680594

IUPACethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
SMILESCCP(O)(=S)OCC(F)(F)C(F)F
InChIInChI=1S/C5H9F4O2PS/c1-2-12(10,13)11-3-5(8,9)4(6)7/h4H,2-3H2,1H3,(H,10,13)
InChIKeyCCHQODFQGPACKC-UHFFFAOYSA-N
MW240.16 g/mol
LogP2.23
Rot. Bonds5

About ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane

ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane (PubChem CID 88680594) has the molecular formula C5H9F4O2PS and a molecular weight of 240.16 g/mol. Its IUPAC name is ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane.

Molecular Properties

Compound Nameethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
PubChem CID88680594
Molecular FormulaC5H9F4O2PS
Molecular Weight240.16 g/mol
Exact Mass240.00
IUPAC Nameethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
SMILESCCP(O)(=S)OCC(F)(F)C(F)F
InChIInChI=1S/C5H9F4O2PS/c1-2-12(10,13)11-3-5(8,9)4(6)7/h4H,2-3H2,1H3,(H,10,13)
InChIKeyCCHQODFQGPACKC-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
CID 3769735
1,1,2,2-tetrafluoro-3-hydroperoxypropane
CID 162542165
hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 88693701
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
bis(2,2,3,3-tetrafluoropropyl) 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl phosphate
CID 87338288
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol
CID 103474135
3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane
CID 88949671
octyl 2,2,3,3-tetrafluoropropyl 2,2,2-trifluoroethyl phosphate
CID 87338296
2,2,3,3-tetrafluoropropyl N-ethylcarbamate
CID 137320402
1-O-ethyl 3-O-(2,2,3,3-tetrafluoropropyl) 2,2-diethylpropanedioate
CID 91734908
3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
CID 114993438

Frequently Asked Questions

What is the IUPAC name of ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane?
The IUPAC name of ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane (CID 88680594) is ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane.
What is the SMILES notation for ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane?
The canonical SMILES for ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane is CCP(O)(=S)OCC(F)(F)C(F)F.
What is the InChIKey of ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane?
The InChIKey is CCHQODFQGPACKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F4O2PS/c1-2-12(10,13)11-3-5(8,9)4(6)7/h4H,2-3H2,1H3,(H,10,13).
What are the key properties of ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane?
ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane has a molecular weight of 240.16 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane is sourced from PubChem (CID 88680594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).