sodium 3-(trifluoromethyl)phenolate

C7H4F3NaO — CID 23709849

IUPACsodium 3-(trifluoromethyl)phenolate
SMILES[Na+].[O-]c1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H5F3O.Na/c8-7(9,10)5-2-1-3-6(11)4-5;/h1-4,11H;/q;+1/p-1
InChIKeyAPBDKHSTYAUSRL-UHFFFAOYSA-M
MW184.09 g/mol
LogP-1.22
Rot. Bonds

About sodium 3-(trifluoromethyl)phenolate

sodium 3-(trifluoromethyl)phenolate (PubChem CID 23709849) has the molecular formula C7H4F3NaO and a molecular weight of 184.09 g/mol. Its IUPAC name is sodium 3-(trifluoromethyl)phenolate.

Molecular Properties

Compound Namesodium 3-(trifluoromethyl)phenolate
PubChem CID23709849
Molecular FormulaC7H4F3NaO
Molecular Weight184.09 g/mol
Exact Mass184.01
IUPAC Namesodium 3-(trifluoromethyl)phenolate
SMILES[Na+].[O-]c1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H5F3O.Na/c8-7(9,10)5-2-1-3-6(11)4-5;/h1-4,11H;/q;+1/p-1
InChIKeyAPBDKHSTYAUSRL-UHFFFAOYSA-M
XLogP-1.22
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium 3-(trifluoromethyl)phenolate?
The IUPAC name of sodium 3-(trifluoromethyl)phenolate (CID 23709849) is sodium 3-(trifluoromethyl)phenolate.
What is the SMILES notation for sodium 3-(trifluoromethyl)phenolate?
The canonical SMILES for sodium 3-(trifluoromethyl)phenolate is [Na+].[O-]c1cccc(C(F)(F)F)c1.
What is the InChIKey of sodium 3-(trifluoromethyl)phenolate?
The InChIKey is APBDKHSTYAUSRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F3O.Na/c8-7(9,10)5-2-1-3-6(11)4-5;/h1-4,11H;/q;+1/p-1.
What are the key properties of sodium 3-(trifluoromethyl)phenolate?
sodium 3-(trifluoromethyl)phenolate has a molecular weight of 184.09 g/mol, XLogP of -1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(trifluoromethyl)phenolate is sourced from PubChem (CID 23709849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).