sodium;hydride;trifluoromethyl methanesulfonate

C2H4F3NaO3S — CID 174543711

IUPACsodium;hydride;trifluoromethyl methanesulfonate
SMILESCS(=O)(=O)OC(F)(F)F.[H-].[Na+]
InChIInChI=1S/C2H3F3O3S.Na.H/c1-9(6,7)8-2(3,4)5;;/h1H3;;/q;+1;-1
InChIKeyPTCHKDQLEIHGTI-UHFFFAOYSA-N
MW188.10 g/mol
LogP-2.40
Rot. Bonds1

About sodium;hydride;trifluoromethyl methanesulfonate

sodium;hydride;trifluoromethyl methanesulfonate (PubChem CID 174543711) has the molecular formula C2H4F3NaO3S and a molecular weight of 188.10 g/mol. Its IUPAC name is sodium;hydride;trifluoromethyl methanesulfonate.

Molecular Properties

Compound Namesodium;hydride;trifluoromethyl methanesulfonate
PubChem CID174543711
Molecular FormulaC2H4F3NaO3S
Molecular Weight188.10 g/mol
Exact Mass187.97
IUPAC Namesodium;hydride;trifluoromethyl methanesulfonate
SMILESCS(=O)(=O)OC(F)(F)F.[H-].[Na+]
InChIInChI=1S/C2H3F3O3S.Na.H/c1-9(6,7)8-2(3,4)5;;/h1H3;;/q;+1;-1
InChIKeyPTCHKDQLEIHGTI-UHFFFAOYSA-N
XLogP-2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 5-2.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,3-heptafluoropropyl methanesulfonate
CID 87623488
trifluoromethyl 1,1-difluoroethanesulfonate
CID 174493572
sodium;hydride;methylsulfonyl 2,2,2-trifluoroacetate
CID 175105872
trifluoro(trimethylsilylsulfonyloxy)methane
CID 15145415
trifluoromethyl difluoromethanesulfonate
CID 154354026
trifluoro(methylsulfonyl)methane
CID 11215049
CID 153335895
CID 153335895
trifluoromethyl butane-1-sulfonate
CID 87163996
lithium;hydride;methanesulfonyl fluoride
CID 175576597
2-fluoro-2-fluorosulfonyloxypropane
CID 88649659
sodium;hydride;methoxy methanesulfonate
CID 173180257
sodium methanesulfonoperoxoate
CID 59815177

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;trifluoromethyl methanesulfonate?
The IUPAC name of sodium;hydride;trifluoromethyl methanesulfonate (CID 174543711) is sodium;hydride;trifluoromethyl methanesulfonate.
What is the SMILES notation for sodium;hydride;trifluoromethyl methanesulfonate?
The canonical SMILES for sodium;hydride;trifluoromethyl methanesulfonate is CS(=O)(=O)OC(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;hydride;trifluoromethyl methanesulfonate?
The InChIKey is PTCHKDQLEIHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O3S.Na.H/c1-9(6,7)8-2(3,4)5;;/h1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;trifluoromethyl methanesulfonate?
sodium;hydride;trifluoromethyl methanesulfonate has a molecular weight of 188.10 g/mol, XLogP of -2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;trifluoromethyl methanesulfonate is sourced from PubChem (CID 174543711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).