trifluoromethoxysulfanylethane

C3H5F3OS — CID 19353568

IUPACtrifluoromethoxysulfanylethane
SMILESCCSOC(F)(F)F
InChIInChI=1S/C3H5F3OS/c1-2-8-7-3(4,5)6/h2H2,1H3
InChIKeyLQWQUGOPMITNBW-UHFFFAOYSA-N
MW146.13 g/mol
LogP2.19
Rot. Bonds2

About trifluoromethoxysulfanylethane

trifluoromethoxysulfanylethane (PubChem CID 19353568) has the molecular formula C3H5F3OS and a molecular weight of 146.13 g/mol. Its IUPAC name is trifluoromethoxysulfanylethane.

Molecular Properties

Compound Nametrifluoromethoxysulfanylethane
PubChem CID19353568
Molecular FormulaC3H5F3OS
Molecular Weight146.13 g/mol
Exact Mass146.00
IUPAC Nametrifluoromethoxysulfanylethane
SMILESCCSOC(F)(F)F
InChIInChI=1S/C3H5F3OS/c1-2-8-7-3(4,5)6/h2H2,1H3
InChIKeyLQWQUGOPMITNBW-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoromethoxysulfanylethane?
The IUPAC name of trifluoromethoxysulfanylethane (CID 19353568) is trifluoromethoxysulfanylethane.
What is the SMILES notation for trifluoromethoxysulfanylethane?
The canonical SMILES for trifluoromethoxysulfanylethane is CCSOC(F)(F)F.
What is the InChIKey of trifluoromethoxysulfanylethane?
The InChIKey is LQWQUGOPMITNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3OS/c1-2-8-7-3(4,5)6/h2H2,1H3.
What are the key properties of trifluoromethoxysulfanylethane?
trifluoromethoxysulfanylethane has a molecular weight of 146.13 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethoxysulfanylethane is sourced from PubChem (CID 19353568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).