[methoxy(trifluoromethyl)phosphoryl] sulfite

C2H3F3O5PS- — CID 174581581

IUPAC[methoxy(trifluoromethyl)phosphoryl] sulfite
SMILESCOP(=O)(OS(=O)[O-])C(F)(F)F
InChIInChI=1S/C2H4F3O5PS/c1-9-11(6,2(3,4)5)10-12(7)8/h1H3,(H,7,8)/p-1
InChIKeyBSCURRQXSRUTQO-UHFFFAOYSA-M
MW227.08 g/mol
LogP1.16
Rot. Bonds3

About [methoxy(trifluoromethyl)phosphoryl] sulfite

[methoxy(trifluoromethyl)phosphoryl] sulfite (PubChem CID 174581581) has the molecular formula C2H3F3O5PS- and a molecular weight of 227.08 g/mol. Its IUPAC name is [methoxy(trifluoromethyl)phosphoryl] sulfite.

Molecular Properties

Compound Name[methoxy(trifluoromethyl)phosphoryl] sulfite
PubChem CID174581581
Molecular FormulaC2H3F3O5PS-
Molecular Weight227.08 g/mol
Exact Mass226.94
IUPAC Name[methoxy(trifluoromethyl)phosphoryl] sulfite
SMILESCOP(=O)(OS(=O)[O-])C(F)(F)F
InChIInChI=1S/C2H4F3O5PS/c1-9-11(6,2(3,4)5)10-12(7)8/h1H3,(H,7,8)/p-1
InChIKeyBSCURRQXSRUTQO-UHFFFAOYSA-M
XLogP1.16
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.08
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[methoxy(methyl)phosphoryl]methane
CID 12886123
1,2,2-trifluoro-2-methoxyethanesulfinate
CID 89191515
magnesium methyl sulfite
CID 88792923
zinc methyl sulfite
CID 88792512
dibromo-bis(dimethoxyphosphoryl)methane
CID 14508674
trifluoro-[trifluoromethoxy(trifluoromethyl)phosphoryl]oxymethane
CID 87127913
samarium(3+);tris(trifluoromethyl sulfite)
CID 58114423
2-dimethoxyphosphoryl-2-methoxypropane
CID 15055131
ethane;trifluoromethanesulfinate
CID 89437311
[dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid
CID 10438081
1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol
CID 102046247
methyl bis(trifluoromethyl) phosphate
CID 87128096

Frequently Asked Questions

What is the IUPAC name of [methoxy(trifluoromethyl)phosphoryl] sulfite?
The IUPAC name of [methoxy(trifluoromethyl)phosphoryl] sulfite (CID 174581581) is [methoxy(trifluoromethyl)phosphoryl] sulfite.
What is the SMILES notation for [methoxy(trifluoromethyl)phosphoryl] sulfite?
The canonical SMILES for [methoxy(trifluoromethyl)phosphoryl] sulfite is COP(=O)(OS(=O)[O-])C(F)(F)F.
What is the InChIKey of [methoxy(trifluoromethyl)phosphoryl] sulfite?
The InChIKey is BSCURRQXSRUTQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4F3O5PS/c1-9-11(6,2(3,4)5)10-12(7)8/h1H3,(H,7,8)/p-1.
What are the key properties of [methoxy(trifluoromethyl)phosphoryl] sulfite?
[methoxy(trifluoromethyl)phosphoryl] sulfite has a molecular weight of 227.08 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(trifluoromethyl)phosphoryl] sulfite is sourced from PubChem (CID 174581581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).