1-methoxy-2-(trifluoromethylsulfanyl)ethane

C4H7F3OS — CID 118075048

IUPAC1-methoxy-2-(trifluoromethylsulfanyl)ethane
SMILESCOCCSC(F)(F)F
InChIInChI=1S/C4H7F3OS/c1-8-2-3-9-4(5,6)7/h2-3H2,1H3
InChIKeyOPVVKQIJCROMES-UHFFFAOYSA-N
MW160.16 g/mol
LogP1.89
Rot. Bonds3

About 1-methoxy-2-(trifluoromethylsulfanyl)ethane

1-methoxy-2-(trifluoromethylsulfanyl)ethane (PubChem CID 118075048) has the molecular formula C4H7F3OS and a molecular weight of 160.16 g/mol. Its IUPAC name is 1-methoxy-2-(trifluoromethylsulfanyl)ethane.

Molecular Properties

Compound Name1-methoxy-2-(trifluoromethylsulfanyl)ethane
PubChem CID118075048
Molecular FormulaC4H7F3OS
Molecular Weight160.16 g/mol
Exact Mass160.02
IUPAC Name1-methoxy-2-(trifluoromethylsulfanyl)ethane
SMILESCOCCSC(F)(F)F
InChIInChI=1S/C4H7F3OS/c1-8-2-3-9-4(5,6)7/h2-3H2,1H3
InChIKeyOPVVKQIJCROMES-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(trifluoromethylsulfanyl)ethane?
The IUPAC name of 1-methoxy-2-(trifluoromethylsulfanyl)ethane (CID 118075048) is 1-methoxy-2-(trifluoromethylsulfanyl)ethane.
What is the SMILES notation for 1-methoxy-2-(trifluoromethylsulfanyl)ethane?
The canonical SMILES for 1-methoxy-2-(trifluoromethylsulfanyl)ethane is COCCSC(F)(F)F.
What is the InChIKey of 1-methoxy-2-(trifluoromethylsulfanyl)ethane?
The InChIKey is OPVVKQIJCROMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3OS/c1-8-2-3-9-4(5,6)7/h2-3H2,1H3.
What are the key properties of 1-methoxy-2-(trifluoromethylsulfanyl)ethane?
1-methoxy-2-(trifluoromethylsulfanyl)ethane has a molecular weight of 160.16 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(trifluoromethylsulfanyl)ethane is sourced from PubChem (CID 118075048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).