[sulfinato(trifluoromethyl)amino]ethane

C3H5F3NO2S- — CID 57212539

IUPAC[sulfinato(trifluoromethyl)amino]ethane
SMILESCCN(S(=O)[O-])C(F)(F)F
InChIInChI=1S/C3H6F3NO2S/c1-2-7(10(8)9)3(4,5)6/h2H2,1H3,(H,8,9)/p-1
InChIKeyRWXMZSLDFONCJS-UHFFFAOYSA-M
MW176.14 g/mol
LogP0.62
Rot. Bonds2

About [sulfinato(trifluoromethyl)amino]ethane

[sulfinato(trifluoromethyl)amino]ethane (PubChem CID 57212539) has the molecular formula C3H5F3NO2S- and a molecular weight of 176.14 g/mol. Its IUPAC name is [sulfinato(trifluoromethyl)amino]ethane.

Molecular Properties

Compound Name[sulfinato(trifluoromethyl)amino]ethane
PubChem CID57212539
Molecular FormulaC3H5F3NO2S-
Molecular Weight176.14 g/mol
Exact Mass176.00
IUPAC Name[sulfinato(trifluoromethyl)amino]ethane
SMILESCCN(S(=O)[O-])C(F)(F)F
InChIInChI=1S/C3H6F3NO2S/c1-2-7(10(8)9)3(4,5)6/h2H2,1H3,(H,8,9)/p-1
InChIKeyRWXMZSLDFONCJS-UHFFFAOYSA-M
XLogP0.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [sulfinato(trifluoromethyl)amino]ethane?
The IUPAC name of [sulfinato(trifluoromethyl)amino]ethane (CID 57212539) is [sulfinato(trifluoromethyl)amino]ethane.
What is the SMILES notation for [sulfinato(trifluoromethyl)amino]ethane?
The canonical SMILES for [sulfinato(trifluoromethyl)amino]ethane is CCN(S(=O)[O-])C(F)(F)F.
What is the InChIKey of [sulfinato(trifluoromethyl)amino]ethane?
The InChIKey is RWXMZSLDFONCJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6F3NO2S/c1-2-7(10(8)9)3(4,5)6/h2H2,1H3,(H,8,9)/p-1.
What are the key properties of [sulfinato(trifluoromethyl)amino]ethane?
[sulfinato(trifluoromethyl)amino]ethane has a molecular weight of 176.14 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [sulfinato(trifluoromethyl)amino]ethane is sourced from PubChem (CID 57212539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).