1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane

C5H10F3O2PS — CID 13207021

IUPAC1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(SCC)C(F)(F)F
InChIInChI=1S/C5H10F3O2PS/c1-3-10-11(9,12-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKeyXMWUBMKTOQFQPX-UHFFFAOYSA-N
MW222.17 g/mol
LogP3.49
Rot. Bonds4

About 1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane

1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane (PubChem CID 13207021) has the molecular formula C5H10F3O2PS and a molecular weight of 222.17 g/mol. Its IUPAC name is 1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane
PubChem CID13207021
Molecular FormulaC5H10F3O2PS
Molecular Weight222.17 g/mol
Exact Mass222.01
IUPAC Name1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(SCC)C(F)(F)F
InChIInChI=1S/C5H10F3O2PS/c1-3-10-11(9,12-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKeyXMWUBMKTOQFQPX-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[fluoro(trifluoromethyl)phosphoryl]oxyethane
CID 172746809
1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane
CID 23337985
2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
CID 12757470
[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate
CID 22497723
2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane
CID 6421638
1-bromo-2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 11130909
ethoxy(fluoromethyl)phosphinic acid
CID 150160120
1-[fluoromethyl(methoxy)phosphoryl]oxyethane
CID 13426238
ethyl methyl 2,2,2-trifluoroethyl phosphate
CID 87424600
2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane
CID 11862329
2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane
CID 71385662
2-bromo-2-diethoxyphosphoryl-2-fluoroacetonitrile
CID 134872139

Frequently Asked Questions

What is the IUPAC name of 1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane?
The IUPAC name of 1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane (CID 13207021) is 1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane is CCOP(=O)(SCC)C(F)(F)F.
What is the InChIKey of 1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane?
The InChIKey is XMWUBMKTOQFQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3O2PS/c1-3-10-11(9,12-4-2)5(6,7)8/h3-4H2,1-2H3.
What are the key properties of 1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane?
1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane has a molecular weight of 222.17 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane is sourced from PubChem (CID 13207021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).