sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid

C2H3F3NNaO4S — CID 173392621

IUPACsodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid
SMILESO=C(NS(=O)(=O)O)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C2H2F3NO4S.Na.H/c3-2(4,5)1(7)6-11(8,9)10;;/h(H,6,7)(H,8,9,10);;/q;+1;-1
InChIKeyLDYLGQFXESSJFR-UHFFFAOYSA-N
MW217.10 g/mol
LogP-3.42
Rot. Bonds1

About sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid

sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid (PubChem CID 173392621) has the molecular formula C2H3F3NNaO4S and a molecular weight of 217.10 g/mol. Its IUPAC name is sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid.

Molecular Properties

Compound Namesodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid
PubChem CID173392621
Molecular FormulaC2H3F3NNaO4S
Molecular Weight217.10 g/mol
Exact Mass216.96
IUPAC Namesodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid
SMILESO=C(NS(=O)(=O)O)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C2H2F3NO4S.Na.H/c3-2(4,5)1(7)6-11(8,9)10;;/h(H,6,7)(H,8,9,10);;/q;+1;-1
InChIKeyLDYLGQFXESSJFR-UHFFFAOYSA-N
XLogP-3.42
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 5-3.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 87267100
CID 87267100
2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide
CID 87267309
carbonofluoridoylsulfamic acid
CID 176893814
1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonic acid;hydrochloride
CID 88792540
methyl 2-[(2-methoxy-2-oxoethylidene)-oxo-[(2,2,2-trifluoroacetyl)amino]-λ6-sulfanyl]acetate
CID 123165652
N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide
CID 90380771
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356
N-(3,4-dihydroxyphenyl)sulfonyl-2,2,2-trifluoroacetamide
CID 170128442
N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide
CID 88855230
lithium;hydride;1,1,1-trifluoropentane-2,4-dione
CID 173192040
sulfurothioic O-acid;2,2,2-trifluoroacetic acid
CID 87348477
1,2,2-trifluoroethenylsulfamic acid
CID 147457738

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid?
The IUPAC name of sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid (CID 173392621) is sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid.
What is the SMILES notation for sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid?
The canonical SMILES for sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid is O=C(NS(=O)(=O)O)C(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid?
The InChIKey is LDYLGQFXESSJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3NO4S.Na.H/c3-2(4,5)1(7)6-11(8,9)10;;/h(H,6,7)(H,8,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid?
sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid has a molecular weight of 217.10 g/mol, XLogP of -3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid is sourced from PubChem (CID 173392621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).