hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane

C3H6F3O2PS2 — CID 174548600

IUPAChydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
SMILESCSP(O)(=S)OCC(F)(F)F
InChIInChI=1S/C3H6F3O2PS2/c1-11-9(7,10)8-2-3(4,5)6/h2H2,1H3,(H,7,10)
InChIKeyWWQDNWHIYBFMAB-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.15
Rot. Bonds3

About hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane

hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane (PubChem CID 174548600) has the molecular formula C3H6F3O2PS2 and a molecular weight of 226.18 g/mol. Its IUPAC name is hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
PubChem CID174548600
Molecular FormulaC3H6F3O2PS2
Molecular Weight226.18 g/mol
Exact Mass225.95
IUPAC Namehydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
SMILESCSP(O)(=S)OCC(F)(F)F
InChIInChI=1S/C3H6F3O2PS2/c1-11-9(7,10)8-2-3(4,5)6/h2H2,1H3,(H,7,10)
InChIKeyWWQDNWHIYBFMAB-UHFFFAOYSA-N
XLogP2.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 88693701
bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
CID 171929952
bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine
CID 118073252
ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
CID 176965535
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate
CID 161228168
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate
CID 174547612
alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
CID 175262525
chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 154061893
aminomethyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 15184680
2,2-dimethylpropoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 59024930

Frequently Asked Questions

What is the IUPAC name of hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane?
The IUPAC name of hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane (CID 174548600) is hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane.
What is the SMILES notation for hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane?
The canonical SMILES for hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane is CSP(O)(=S)OCC(F)(F)F.
What is the InChIKey of hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane?
The InChIKey is WWQDNWHIYBFMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O2PS2/c1-11-9(7,10)8-2-3(4,5)6/h2H2,1H3,(H,7,10).
What are the key properties of hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane?
hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane has a molecular weight of 226.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane is sourced from PubChem (CID 174548600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).