1,1,1-trifluoro-2-methylsulfanyloxyethane

C3H5F3OS — CID 143284607

IUPAC1,1,1-trifluoro-2-methylsulfanyloxyethane
SMILESCSOCC(F)(F)F
InChIInChI=1S/C3H5F3OS/c1-8-7-2-3(4,5)6/h2H2,1H3
InChIKeyZJZUHRZTUVNSLL-UHFFFAOYSA-N
MW146.13 g/mol
LogP1.84
Rot. Bonds2

About 1,1,1-trifluoro-2-methylsulfanyloxyethane

1,1,1-trifluoro-2-methylsulfanyloxyethane (PubChem CID 143284607) has the molecular formula C3H5F3OS and a molecular weight of 146.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methylsulfanyloxyethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methylsulfanyloxyethane
PubChem CID143284607
Molecular FormulaC3H5F3OS
Molecular Weight146.13 g/mol
Exact Mass146.00
IUPAC Name1,1,1-trifluoro-2-methylsulfanyloxyethane
SMILESCSOCC(F)(F)F
InChIInChI=1S/C3H5F3OS/c1-8-7-2-3(4,5)6/h2H2,1H3
InChIKeyZJZUHRZTUVNSLL-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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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Related Compounds

2,2-bis(2,2,2-trifluoroethoxy)propane
CID 18927635
2-methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
CID 176965535
hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 174548600
3-methylsulfanyl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82712078
1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
2-amino-3-methyl-2-(methylsulfanyloxymethyl)butanal
CID 170051756
4-methylsulfanyl-N-(2,2,2-trifluoroethoxy)butan-1-amine
CID 103088300
ethyl-tris(2,2,2-trifluoroethoxy)silane
CID 139652864
2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane
CID 134572213
2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methylsulfanyloxyethane?
The IUPAC name of 1,1,1-trifluoro-2-methylsulfanyloxyethane (CID 143284607) is 1,1,1-trifluoro-2-methylsulfanyloxyethane.
What is the SMILES notation for 1,1,1-trifluoro-2-methylsulfanyloxyethane?
The canonical SMILES for 1,1,1-trifluoro-2-methylsulfanyloxyethane is CSOCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methylsulfanyloxyethane?
The InChIKey is ZJZUHRZTUVNSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3OS/c1-8-7-2-3(4,5)6/h2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-methylsulfanyloxyethane?
1,1,1-trifluoro-2-methylsulfanyloxyethane has a molecular weight of 146.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methylsulfanyloxyethane is sourced from PubChem (CID 143284607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).