sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid

C9H17F4NaO3S — CID 175360951

IUPACsodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)C(F)C(F)CCCCCF.[H-].[Na+]
InChIInChI=1S/C9H16F4O3S.Na.H/c10-5-3-1-2-4-7(11)9(13)8(12)6-17(14,15)16;;/h7-9H,1-6H2,(H,14,15,16);;/q;+1;-1
InChIKeyHRTKFVQZANAGSV-UHFFFAOYSA-N
MW304.28 g/mol
LogP-0.47
Rot. Bonds9

About sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid

sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid (PubChem CID 175360951) has the molecular formula C9H17F4NaO3S and a molecular weight of 304.28 g/mol. Its IUPAC name is sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
PubChem CID175360951
Molecular FormulaC9H17F4NaO3S
Molecular Weight304.28 g/mol
Exact Mass304.07
IUPAC Namesodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)C(F)C(F)CCCCCF.[H-].[Na+]
InChIInChI=1S/C9H16F4O3S.Na.H/c10-5-3-1-2-4-7(11)9(13)8(12)6-17(14,15)16;;/h7-9H,1-6H2,(H,14,15,16);;/q;+1;-1
InChIKeyHRTKFVQZANAGSV-UHFFFAOYSA-N
XLogP-0.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,10-pentafluorodecane-1-sulfonic acid
CID 134206413
2,3,11-trifluoroundecane-1-sulfonic acid
CID 134206558
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid
CID 134206325
potassium 2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134207060
prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid
CID 175164569
sodium 2,3,4,5,9-pentafluorononane-1-sulfonate
CID 134206972
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175528961
potassium 2,3,4,5,12-pentafluorododecane-1-sulfonate
CID 134206749
1,2,8-trifluorooctane-1-sulfonic acid
CID 87485264
azane;1,10,11-trifluorodotriacontane-12-sulfonic acid
CID 175161770
tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134206650
1,2,3,4,9-pentafluorononan-1-ol
CID 166745168

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid?
The IUPAC name of sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid (CID 175360951) is sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid?
The canonical SMILES for sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid is O=S(=O)(O)CC(F)C(F)C(F)CCCCCF.[H-].[Na+].
What is the InChIKey of sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid?
The InChIKey is HRTKFVQZANAGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F4O3S.Na.H/c10-5-3-1-2-4-7(11)9(13)8(12)6-17(14,15)16;;/h7-9H,1-6H2,(H,14,15,16);;/q;+1;-1.
What are the key properties of sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid?
sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid has a molecular weight of 304.28 g/mol, XLogP of -0.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid is sourced from PubChem (CID 175360951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).