sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid

C3H7F3NNaO3S — CID 173392635

IUPACsodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid
SMILESCC(NS(=O)(=O)O)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C3H6F3NO3S.Na.H/c1-2(3(4,5)6)7-11(8,9)10;;/h2,7H,1H3,(H,8,9,10);;/q;+1;-1
InChIKeyDTCJZGYABORVKN-UHFFFAOYSA-N
MW217.14 g/mol
LogP-2.55
Rot. Bonds2

About sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid

sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid (PubChem CID 173392635) has the molecular formula C3H7F3NNaO3S and a molecular weight of 217.14 g/mol. Its IUPAC name is sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid.

Molecular Properties

Compound Namesodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid
PubChem CID173392635
Molecular FormulaC3H7F3NNaO3S
Molecular Weight217.14 g/mol
Exact Mass217.00
IUPAC Namesodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid
SMILESCC(NS(=O)(=O)O)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C3H6F3NO3S.Na.H/c1-2(3(4,5)6)7-11(8,9)10;;/h2,7H,1H3,(H,8,9,10);;/q;+1;-1
InChIKeyDTCJZGYABORVKN-UHFFFAOYSA-N
XLogP-2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 5-2.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoropropan-2-ylsulfamic acid
CID 17804129
3,3,3-Trifluoropropylsulfamic acid
CID 17804131
potassium;N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 23705468
sodium;N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 23707325
1,1,1-Trifluoro-2-(sulfinatoamino)propane
CID 91315691
(2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane
CID 140578437
Potassium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid
CID 173392627
N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 17804134
1,1,1-Trifluoro-2-(sulfinoamino)propane
CID 90312733
1,1,1-trifluoro-N-hydroxysulfanylpropan-2-amine
CID 144070437

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid?
The IUPAC name of sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid (CID 173392635) is sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid.
What is the SMILES notation for sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid?
The canonical SMILES for sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid is CC(NS(=O)(=O)O)C(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid?
The InChIKey is DTCJZGYABORVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO3S.Na.H/c1-2(3(4,5)6)7-11(8,9)10;;/h2,7H,1H3,(H,8,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid?
sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid has a molecular weight of 217.14 g/mol, XLogP of -2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid is sourced from PubChem (CID 173392635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).