sodium;N,N-difluoroaniline;acetate

C8H8F2NNaO2 — CID 162315438

IUPACsodium;N,N-difluoroaniline;acetate
SMILESCC(=O)[O-].FN(F)c1ccccc1.[Na+]
InChIInChI=1S/C6H5F2N.C2H4O2.Na/c7-9(8)6-4-2-1-3-5-6;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1
InChIKeyHFSARFCMCMIZKY-UHFFFAOYSA-M
MW211.14 g/mol
LogP-1.98
Rot. Bonds1

About sodium;N,N-difluoroaniline;acetate

sodium;N,N-difluoroaniline;acetate (PubChem CID 162315438) has the molecular formula C8H8F2NNaO2 and a molecular weight of 211.14 g/mol. Its IUPAC name is sodium;N,N-difluoroaniline;acetate.

Molecular Properties

Compound Namesodium;N,N-difluoroaniline;acetate
PubChem CID162315438
Molecular FormulaC8H8F2NNaO2
Molecular Weight211.14 g/mol
Exact Mass211.04
IUPAC Namesodium;N,N-difluoroaniline;acetate
SMILESCC(=O)[O-].FN(F)c1ccccc1.[Na+]
InChIInChI=1S/C6H5F2N.C2H4O2.Na/c7-9(8)6-4-2-1-3-5-6;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1
InChIKeyHFSARFCMCMIZKY-UHFFFAOYSA-M
XLogP-1.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 5-1.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;N,N-difluoroaniline;acetate?
The IUPAC name of sodium;N,N-difluoroaniline;acetate (CID 162315438) is sodium;N,N-difluoroaniline;acetate.
What is the SMILES notation for sodium;N,N-difluoroaniline;acetate?
The canonical SMILES for sodium;N,N-difluoroaniline;acetate is CC(=O)[O-].FN(F)c1ccccc1.[Na+].
What is the InChIKey of sodium;N,N-difluoroaniline;acetate?
The InChIKey is HFSARFCMCMIZKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5F2N.C2H4O2.Na/c7-9(8)6-4-2-1-3-5-6;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of sodium;N,N-difluoroaniline;acetate?
sodium;N,N-difluoroaniline;acetate has a molecular weight of 211.14 g/mol, XLogP of -1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N,N-difluoroaniline;acetate is sourced from PubChem (CID 162315438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).