sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid

C4H4F3NaO2 — CID 174753515

IUPACsodium;hydride;2-(trifluoromethyl)prop-2-enoic acid
SMILESC=C(C(=O)O)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C4H3F3O2.Na.H/c1-2(3(8)9)4(5,6)7;;/h1H2,(H,8,9);;/q;+1;-1
InChIKeyAKEIUWMNGAAGIC-UHFFFAOYSA-N
MW164.06 g/mol
LogP-1.69
Rot. Bonds1

About sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid

sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid (PubChem CID 174753515) has the molecular formula C4H4F3NaO2 and a molecular weight of 164.06 g/mol. Its IUPAC name is sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid.

Molecular Properties

Compound Namesodium;hydride;2-(trifluoromethyl)prop-2-enoic acid
PubChem CID174753515
Molecular FormulaC4H4F3NaO2
Molecular Weight164.06 g/mol
Exact Mass164.01
IUPAC Namesodium;hydride;2-(trifluoromethyl)prop-2-enoic acid
SMILESC=C(C(=O)O)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C4H3F3O2.Na.H/c1-2(3(8)9)4(5,6)7;;/h1H2,(H,8,9);;/q;+1;-1
InChIKeyAKEIUWMNGAAGIC-UHFFFAOYSA-N
XLogP-1.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.06
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid?
The IUPAC name of sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid (CID 174753515) is sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid.
What is the SMILES notation for sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid?
The canonical SMILES for sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid is C=C(C(=O)O)C(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid?
The InChIKey is AKEIUWMNGAAGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O2.Na.H/c1-2(3(8)9)4(5,6)7;;/h1H2,(H,8,9);;/q;+1;-1.
What are the key properties of sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid?
sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid has a molecular weight of 164.06 g/mol, XLogP of -1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-(trifluoromethyl)prop-2-enoic acid is sourced from PubChem (CID 174753515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).