sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane

C3H6F3NNaO2S- — CID 174716663

IUPACsodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane
SMILESO=S([O-])NCCC(F)(F)F.[H-].[Na+]
InChIInChI=1S/C3H6F3NO2S.Na.H/c4-3(5,6)1-2-7-10(8)9;;/h7H,1-2H2,(H,8,9);;/q;+1;-1/p-1
InChIKeyVAELKYBENUBHLF-UHFFFAOYSA-M
MW200.14 g/mol
LogP-2.56
Rot. Bonds3

About sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane

sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane (PubChem CID 174716663) has the molecular formula C3H6F3NNaO2S- and a molecular weight of 200.14 g/mol. Its IUPAC name is sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane.

Molecular Properties

Compound Namesodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane
PubChem CID174716663
Molecular FormulaC3H6F3NNaO2S-
Molecular Weight200.14 g/mol
Exact Mass200.00
IUPAC Namesodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane
SMILESO=S([O-])NCCC(F)(F)F.[H-].[Na+]
InChIInChI=1S/C3H6F3NO2S.Na.H/c4-3(5,6)1-2-7-10(8)9;;/h7H,1-2H2,(H,8,9);;/q;+1;-1/p-1
InChIKeyVAELKYBENUBHLF-UHFFFAOYSA-M
XLogP-2.56
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 5-2.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane?
The IUPAC name of sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane (CID 174716663) is sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane.
What is the SMILES notation for sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane?
The canonical SMILES for sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane is O=S([O-])NCCC(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane?
The InChIKey is VAELKYBENUBHLF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6F3NO2S.Na.H/c4-3(5,6)1-2-7-10(8)9;;/h7H,1-2H2,(H,8,9);;/q;+1;-1/p-1.
What are the key properties of sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane?
sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane has a molecular weight of 200.14 g/mol, XLogP of -2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1,1,1-trifluoro-3-(sulfinatoamino)propane is sourced from PubChem (CID 174716663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).