1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane

C7H14F3O5PS — CID 53306814

IUPAC1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane
SMILESCOCCOP(=O)(OCCOC)SC(F)(F)F
InChIInChI=1S/C7H14F3O5PS/c1-12-3-5-14-16(11,15-6-4-13-2)17-7(8,9)10/h3-6H2,1-2H3
InChIKeyFYUUAQVLFSYYOJ-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.67
Rot. Bonds9

About 1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane

1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane (PubChem CID 53306814) has the molecular formula C7H14F3O5PS and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane
PubChem CID53306814
Molecular FormulaC7H14F3O5PS
Molecular Weight298.22 g/mol
Exact Mass298.03
IUPAC Name1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane
SMILESCOCCOP(=O)(OCCOC)SC(F)(F)F
InChIInChI=1S/C7H14F3O5PS/c1-12-3-5-14-16(11,15-6-4-13-2)17-7(8,9)10/h3-6H2,1-2H3
InChIKeyFYUUAQVLFSYYOJ-UHFFFAOYSA-N
XLogP2.67
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane?
The IUPAC name of 1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane (CID 53306814) is 1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane?
The canonical SMILES for 1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane is COCCOP(=O)(OCCOC)SC(F)(F)F.
What is the InChIKey of 1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane?
The InChIKey is FYUUAQVLFSYYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3O5PS/c1-12-3-5-14-16(11,15-6-4-13-2)17-7(8,9)10/h3-6H2,1-2H3.
What are the key properties of 1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane?
1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane has a molecular weight of 298.22 g/mol, XLogP of 2.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[2-methoxyethoxy(trifluoromethylsulfanyl)phosphoryl]oxyethane is sourced from PubChem (CID 53306814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).