ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane

C8H15F6O3PS — CID 176965535

IUPACethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
SMILESCC.CSCP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H9F6O3PS.C2H6/c1-17-4-16(13,14-2-5(7,8)9)15-3-6(10,11)12;1-2/h2-4H2,1H3;1-2H3
InChIKeyRAUWSQCXWQWGEW-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.68
Rot. Bonds6

About ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane

ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane (PubChem CID 176965535) has the molecular formula C8H15F6O3PS and a molecular weight of 336.23 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Nameethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
PubChem CID176965535
Molecular FormulaC8H15F6O3PS
Molecular Weight336.23 g/mol
Exact Mass336.04
IUPAC Nameethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
SMILESCC.CSCP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H9F6O3PS.C2H6/c1-17-4-16(13,14-2-5(7,8)9)15-3-6(10,11)12;1-2/h2-4H2,1H3;1-2H3
InChIKeyRAUWSQCXWQWGEW-UHFFFAOYSA-N
XLogP4.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
The IUPAC name of ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane (CID 176965535) is ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane.
What is the SMILES notation for ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
The canonical SMILES for ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane is CC.CSCP(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
The InChIKey is RAUWSQCXWQWGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6O3PS.C2H6/c1-17-4-16(13,14-2-5(7,8)9)15-3-6(10,11)12;1-2/h2-4H2,1H3;1-2H3.
What are the key properties of ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane has a molecular weight of 336.23 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 176965535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).