sodium;2-chloro-2,2-difluoroacetic acid;hydride

C2H2ClF2NaO2 — CID 173041563

IUPACsodium;2-chloro-2,2-difluoroacetic acid;hydride
SMILESO=C(O)C(F)(F)Cl.[H-].[Na+]
InChIInChI=1S/C2HClF2O2.Na.H/c3-2(4,5)1(6)7;;/h(H,6,7);;/q;+1;-1
InChIKeyATNMBELVPYIIOV-UHFFFAOYSA-N
MW154.47 g/mol
LogP-1.98
Rot. Bonds1

About sodium;2-chloro-2,2-difluoroacetic acid;hydride

sodium;2-chloro-2,2-difluoroacetic acid;hydride (PubChem CID 173041563) has the molecular formula C2H2ClF2NaO2 and a molecular weight of 154.47 g/mol. Its IUPAC name is sodium;2-chloro-2,2-difluoroacetic acid;hydride.

Molecular Properties

Compound Namesodium;2-chloro-2,2-difluoroacetic acid;hydride
PubChem CID173041563
Molecular FormulaC2H2ClF2NaO2
Molecular Weight154.47 g/mol
Exact Mass153.96
IUPAC Namesodium;2-chloro-2,2-difluoroacetic acid;hydride
SMILESO=C(O)C(F)(F)Cl.[H-].[Na+]
InChIInChI=1S/C2HClF2O2.Na.H/c3-2(4,5)1(6)7;;/h(H,6,7);;/q;+1;-1
InChIKeyATNMBELVPYIIOV-UHFFFAOYSA-N
XLogP-1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.47
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;2-chloro-2,2-difluoroacetic acid;hydride?
The IUPAC name of sodium;2-chloro-2,2-difluoroacetic acid;hydride (CID 173041563) is sodium;2-chloro-2,2-difluoroacetic acid;hydride.
What is the SMILES notation for sodium;2-chloro-2,2-difluoroacetic acid;hydride?
The canonical SMILES for sodium;2-chloro-2,2-difluoroacetic acid;hydride is O=C(O)C(F)(F)Cl.[H-].[Na+].
What is the InChIKey of sodium;2-chloro-2,2-difluoroacetic acid;hydride?
The InChIKey is ATNMBELVPYIIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF2O2.Na.H/c3-2(4,5)1(6)7;;/h(H,6,7);;/q;+1;-1.
What are the key properties of sodium;2-chloro-2,2-difluoroacetic acid;hydride?
sodium;2-chloro-2,2-difluoroacetic acid;hydride has a molecular weight of 154.47 g/mol, XLogP of -1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-chloro-2,2-difluoroacetic acid;hydride is sourced from PubChem (CID 173041563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).