1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane

C2HF3NO3S- — CID 57062778

IUPAC1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane
SMILESO=C(NS(=O)[O-])C(F)(F)F
InChIInChI=1S/C2H2F3NO3S/c3-2(4,5)1(7)6-10(8)9/h(H,6,7)(H,8,9)/p-1
InChIKeyRJDLQBOCPSKXGE-UHFFFAOYSA-M
MW176.09 g/mol
LogP-0.54
Rot. Bonds1

About 1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane

1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane (PubChem CID 57062778) has the molecular formula C2HF3NO3S- and a molecular weight of 176.09 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane
PubChem CID57062778
Molecular FormulaC2HF3NO3S-
Molecular Weight176.09 g/mol
Exact Mass175.96
IUPAC Name1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane
SMILESO=C(NS(=O)[O-])C(F)(F)F
InChIInChI=1S/C2H2F3NO3S/c3-2(4,5)1(7)6-10(8)9/h(H,6,7)(H,8,9)/p-1
InChIKeyRJDLQBOCPSKXGE-UHFFFAOYSA-M
XLogP-0.54
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.09
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N',N'-dimethylacetohydrazide
CID 3091354
methoxy-oxo-(sulfinatoamino)methane
CID 57095260
1-hydroxy-1,3-dioxo-3-(sulfinatoamino)propane
CID 131975255
sulfanyl-sulfanylidene-(sulfinatoamino)methane
CID 18673691
1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide
CID 174432206
[carbamoyl(sulfinato)amino]-trifluoromethane
CID 123473839
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
2,2,2-trifluoro-N-(iodomethyl)acetamide
CID 87708484
2,2,2-trifluoro-N-methylsilylacetamide
CID 123916104
CID 87267100
CID 87267100
3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 140799745
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane?
The IUPAC name of 1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane (CID 57062778) is 1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane is O=C(NS(=O)[O-])C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane?
The InChIKey is RJDLQBOCPSKXGE-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2F3NO3S/c3-2(4,5)1(7)6-10(8)9/h(H,6,7)(H,8,9)/p-1.
What are the key properties of 1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane?
1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane has a molecular weight of 176.09 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane is sourced from PubChem (CID 57062778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).