sodium;hydride;trifluoromethyl cyclopropanesulfinate

C4H6F3NaO2S — CID 175134707

IUPACsodium;hydride;trifluoromethyl cyclopropanesulfinate
SMILESO=S(OC(F)(F)F)C1CC1.[H-].[Na+]
InChIInChI=1S/C4H5F3O2S.Na.H/c5-4(6,7)9-10(8)3-1-2-3;;/h3H,1-2H2;;/q;+1;-1
InChIKeyQBQKAHYAOVTKQS-UHFFFAOYSA-N
MW198.14 g/mol
LogP-1.53
Rot. Bonds2

About sodium;hydride;trifluoromethyl cyclopropanesulfinate

sodium;hydride;trifluoromethyl cyclopropanesulfinate (PubChem CID 175134707) has the molecular formula C4H6F3NaO2S and a molecular weight of 198.14 g/mol. Its IUPAC name is sodium;hydride;trifluoromethyl cyclopropanesulfinate.

Molecular Properties

Compound Namesodium;hydride;trifluoromethyl cyclopropanesulfinate
PubChem CID175134707
Molecular FormulaC4H6F3NaO2S
Molecular Weight198.14 g/mol
Exact Mass197.99
IUPAC Namesodium;hydride;trifluoromethyl cyclopropanesulfinate
SMILESO=S(OC(F)(F)F)C1CC1.[H-].[Na+]
InChIInChI=1S/C4H5F3O2S.Na.H/c5-4(6,7)9-10(8)3-1-2-3;;/h3H,1-2H2;;/q;+1;-1
InChIKeyQBQKAHYAOVTKQS-UHFFFAOYSA-N
XLogP-1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;trifluoromethyl cyclopropanesulfinate?
The IUPAC name of sodium;hydride;trifluoromethyl cyclopropanesulfinate (CID 175134707) is sodium;hydride;trifluoromethyl cyclopropanesulfinate.
What is the SMILES notation for sodium;hydride;trifluoromethyl cyclopropanesulfinate?
The canonical SMILES for sodium;hydride;trifluoromethyl cyclopropanesulfinate is O=S(OC(F)(F)F)C1CC1.[H-].[Na+].
What is the InChIKey of sodium;hydride;trifluoromethyl cyclopropanesulfinate?
The InChIKey is QBQKAHYAOVTKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2S.Na.H/c5-4(6,7)9-10(8)3-1-2-3;;/h3H,1-2H2;;/q;+1;-1.
What are the key properties of sodium;hydride;trifluoromethyl cyclopropanesulfinate?
sodium;hydride;trifluoromethyl cyclopropanesulfinate has a molecular weight of 198.14 g/mol, XLogP of -1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;trifluoromethyl cyclopropanesulfinate is sourced from PubChem (CID 175134707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).