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

C2H3F3NO2S- — CID 23192792

IUPAC1,1,1-trifluoro-2-(sulfinatoamino)ethane
SMILESO=S([O-])NCC(F)(F)F
InChIInChI=1S/C2H4F3NO2S/c3-2(4,5)1-6-9(7)8/h6H,1H2,(H,7,8)/p-1
InChIKeyYECRVBLUFAFEOR-UHFFFAOYSA-M
MW162.11 g/mol
LogP-0.07
Rot. Bonds2

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

1,1,1-trifluoro-2-(sulfinatoamino)ethane (PubChem CID 23192792) has the molecular formula C2H3F3NO2S- and a molecular weight of 162.11 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(sulfinatoamino)ethane
PubChem CID23192792
Molecular FormulaC2H3F3NO2S-
Molecular Weight162.11 g/mol
Exact Mass161.98
IUPAC Name1,1,1-trifluoro-2-(sulfinatoamino)ethane
SMILESO=S([O-])NCC(F)(F)F
InChIInChI=1S/C2H4F3NO2S/c3-2(4,5)1-6-9(7)8/h6H,1H2,(H,7,8)/p-1
InChIKeyYECRVBLUFAFEOR-UHFFFAOYSA-M
XLogP-0.07
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-3-(sulfinatoamino)propane
CID 17933131
N-(2,2,2-trifluoroethyl)sulfamoyl chloride
CID 13591655
2,2,2-Trifluoroethylsulfamate
CID 18378142
N-(1,2,2-trifluoroethyl)sulfamoyl chloride
CID 21867276
1,1,1-Trifluoro-2-(sulfinoamino)ethane
CID 23192793
sodium;N-(2,2,2-trifluoroethyl)sulfamate
CID 23705466
potassium;N-(2,2,2-trifluoroethyl)sulfamate
CID 23705472
N-(2,2-difluoroethyl)sulfamate
CID 86632791
1,1,1-Trifluoro-2-(sulfamoylamino)ethane
CID 87272721
Sodium 1,1,1-trifluoro-2-(sulfinatoamino)ethane
CID 88617417
N-(2,2,2-trifluoroethyl)sulfamoyl bromide
CID 176381036

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(sulfinatoamino)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(sulfinatoamino)ethane (CID 23192792) is 1,1,1-trifluoro-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(sulfinatoamino)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(sulfinatoamino)ethane is O=S([O-])NCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(sulfinatoamino)ethane?
The InChIKey is YECRVBLUFAFEOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4F3NO2S/c3-2(4,5)1-6-9(7)8/h6H,1H2,(H,7,8)/p-1.
What are the key properties of 1,1,1-trifluoro-2-(sulfinatoamino)ethane?
1,1,1-trifluoro-2-(sulfinatoamino)ethane has a molecular weight of 162.11 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(sulfinatoamino)ethane is sourced from PubChem (CID 23192792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).