1,2,2-trifluoro-2-methoxyethanesulfinate

C3H4F3O3S- — CID 89191515

IUPAC1,2,2-trifluoro-2-methoxyethanesulfinate
SMILESCOC(F)(F)C(F)S(=O)[O-]
InChIInChI=1S/C3H5F3O3S/c1-9-3(5,6)2(4)10(7)8/h2H,1H3,(H,7,8)/p-1
InChIKeyFDGHWGGEKBOWHY-UHFFFAOYSA-M
MW177.12 g/mol
LogP0.40
Rot. Bonds3

About 1,2,2-trifluoro-2-methoxyethanesulfinate

1,2,2-trifluoro-2-methoxyethanesulfinate (PubChem CID 89191515) has the molecular formula C3H4F3O3S- and a molecular weight of 177.12 g/mol. Its IUPAC name is 1,2,2-trifluoro-2-methoxyethanesulfinate.

Molecular Properties

Compound Name1,2,2-trifluoro-2-methoxyethanesulfinate
PubChem CID89191515
Molecular FormulaC3H4F3O3S-
Molecular Weight177.12 g/mol
Exact Mass176.98
IUPAC Name1,2,2-trifluoro-2-methoxyethanesulfinate
SMILESCOC(F)(F)C(F)S(=O)[O-]
InChIInChI=1S/C3H5F3O3S/c1-9-3(5,6)2(4)10(7)8/h2H,1H3,(H,7,8)/p-1
InChIKeyFDGHWGGEKBOWHY-UHFFFAOYSA-M
XLogP0.40
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[methoxy(trifluoromethyl)phosphoryl] sulfite
CID 174581581
1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane
CID 22807709
ethane;trifluoromethanesulfinate
CID 89437311
zinc;bis(difluoromethanesulfinate);hydrate
CID 140663281
1,1,3,3-tetrafluoropropane-2-sulfinate
CID 91562788
sodium 1,1-difluoroethanesulfinate
CID 117065045
methoxycarbonyl sulfite
CID 123953005
difluoro(methoxy)methane;methoxymethane;trifluoro(methoxy)methane
CID 158880331
2,2-difluoroethanesulfinate
CID 23206833
lithium;amino(fluoro)methanesulfinate;hydride
CID 174808925
zinc methyl sulfite
CID 88792512
magnesium methyl sulfite
CID 88792923

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-2-methoxyethanesulfinate?
The IUPAC name of 1,2,2-trifluoro-2-methoxyethanesulfinate (CID 89191515) is 1,2,2-trifluoro-2-methoxyethanesulfinate.
What is the SMILES notation for 1,2,2-trifluoro-2-methoxyethanesulfinate?
The canonical SMILES for 1,2,2-trifluoro-2-methoxyethanesulfinate is COC(F)(F)C(F)S(=O)[O-].
What is the InChIKey of 1,2,2-trifluoro-2-methoxyethanesulfinate?
The InChIKey is FDGHWGGEKBOWHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5F3O3S/c1-9-3(5,6)2(4)10(7)8/h2H,1H3,(H,7,8)/p-1.
What are the key properties of 1,2,2-trifluoro-2-methoxyethanesulfinate?
1,2,2-trifluoro-2-methoxyethanesulfinate has a molecular weight of 177.12 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-2-methoxyethanesulfinate is sourced from PubChem (CID 89191515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).