sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid

C11H22F3NaO4S — CID 173066586

IUPACsodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCOC(F)(F)F.[H-].[Na+]
InChIInChI=1S/C11H21F3O4S.Na.H/c12-11(13,14)18-9-7-5-3-1-2-4-6-8-10-19(15,16)17;;/h1-10H2,(H,15,16,17);;/q;+1;-1
InChIKeyBZPBXMZVKRWNMQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.65
Rot. Bonds11

About sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid

sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid (PubChem CID 173066586) has the molecular formula C11H22F3NaO4S and a molecular weight of 330.34 g/mol. Its IUPAC name is sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid
PubChem CID173066586
Molecular FormulaC11H22F3NaO4S
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Namesodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCOC(F)(F)F.[H-].[Na+]
InChIInChI=1S/C11H21F3O4S.Na.H/c12-11(13,14)18-9-7-5-3-1-2-4-6-8-10-19(15,16)17;;/h1-10H2,(H,15,16,17);;/q;+1;-1
InChIKeyBZPBXMZVKRWNMQ-UHFFFAOYSA-N
XLogP0.65
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(trifluoromethoxy)propane-1-sulfonic acid
CID 152623233
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
sodium;decane-1,10-disulfonic acid;hydride
CID 173097800
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
octane-1,8-disulfonic acid
CID 18172926
7,7,7-trifluoroheptane-1-sulfonic acid
CID 134206344
pentane-1,5-disulfonic acid;hydrate
CID 133062445
4-(1,2,2-trifluoroethenoxy)butane-1-sulfonic acid
CID 175028087
sodium;4-fluorobutane-1-sulfonic acid;hydride
CID 173211362
azane;7,7,7-trifluoroheptane-1-sulfonic acid
CID 171928985
azane;9,9,9-trifluorononane-1-sulfonic acid
CID 171929032
3-(trifluoromethoxy)propyl trifluoromethanesulfonate
CID 75406356

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid?
The IUPAC name of sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid (CID 173066586) is sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid?
The canonical SMILES for sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCOC(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid?
The InChIKey is BZPBXMZVKRWNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O4S.Na.H/c12-11(13,14)18-9-7-5-3-1-2-4-6-8-10-19(15,16)17;;/h1-10H2,(H,15,16,17);;/q;+1;-1.
What are the key properties of sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid?
sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid has a molecular weight of 330.34 g/mol, XLogP of 0.65, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;10-(trifluoromethoxy)decane-1-sulfonic acid is sourced from PubChem (CID 173066586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).