sodium 3-(trifluoromethylsulfanyl)phenolate

C7H4F3NaOS — CID 23722271

IUPACsodium 3-(trifluoromethylsulfanyl)phenolate
SMILES[Na+].[O-]c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C7H5F3OS.Na/c8-7(9,10)12-6-3-1-2-5(11)4-6;/h1-4,11H;/q;+1/p-1
InChIKeyHRQULZQTBLDBFC-UHFFFAOYSA-M
MW216.16 g/mol
LogP-0.62
Rot. Bonds1

About sodium 3-(trifluoromethylsulfanyl)phenolate

sodium 3-(trifluoromethylsulfanyl)phenolate (PubChem CID 23722271) has the molecular formula C7H4F3NaOS and a molecular weight of 216.16 g/mol. Its IUPAC name is sodium 3-(trifluoromethylsulfanyl)phenolate.

Molecular Properties

Compound Namesodium 3-(trifluoromethylsulfanyl)phenolate
PubChem CID23722271
Molecular FormulaC7H4F3NaOS
Molecular Weight216.16 g/mol
Exact Mass215.98
IUPAC Namesodium 3-(trifluoromethylsulfanyl)phenolate
SMILES[Na+].[O-]c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C7H5F3OS.Na/c8-7(9,10)12-6-3-1-2-5(11)4-6;/h1-4,11H;/q;+1/p-1
InChIKeyHRQULZQTBLDBFC-UHFFFAOYSA-M
XLogP-0.62
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 3-(trifluoromethylsulfanyl)phenolate?
The IUPAC name of sodium 3-(trifluoromethylsulfanyl)phenolate (CID 23722271) is sodium 3-(trifluoromethylsulfanyl)phenolate.
What is the SMILES notation for sodium 3-(trifluoromethylsulfanyl)phenolate?
The canonical SMILES for sodium 3-(trifluoromethylsulfanyl)phenolate is [Na+].[O-]c1cccc(SC(F)(F)F)c1.
What is the InChIKey of sodium 3-(trifluoromethylsulfanyl)phenolate?
The InChIKey is HRQULZQTBLDBFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F3OS.Na/c8-7(9,10)12-6-3-1-2-5(11)4-6;/h1-4,11H;/q;+1/p-1.
What are the key properties of sodium 3-(trifluoromethylsulfanyl)phenolate?
sodium 3-(trifluoromethylsulfanyl)phenolate has a molecular weight of 216.16 g/mol, XLogP of -0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(trifluoromethylsulfanyl)phenolate is sourced from PubChem (CID 23722271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).