Chlorodifluoro-acetic acid sodium

C2HClF2NaO2 — CID 45051942

IUPAC—
SMILESO=C(O)C(F)(F)Cl.[Na]
InChIInChI=1S/C2HClF2O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);
InChIKeyVGDJCNVLJDUYPK-UHFFFAOYSA-N
MW153.47 g/mol
LogP0.52
Rot. Bonds1

About Chlorodifluoro-acetic acid sodium

Chlorodifluoro-acetic acid sodium (PubChem CID 45051942) has the molecular formula C2HClF2NaO2 and a molecular weight of 153.47 g/mol.

Molecular Properties

Compound NameChlorodifluoro-acetic acid sodium
PubChem CID45051942
Molecular FormulaC2HClF2NaO2
Molecular Weight153.47 g/mol
Exact Mass152.95
IUPAC Name—
SMILESO=C(O)C(F)(F)Cl.[Na]
InChIInChI=1S/C2HClF2O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);
InChIKeyVGDJCNVLJDUYPK-UHFFFAOYSA-N
XLogP0.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.47
LogP ≤ 50.52
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 Chlorodifluoro-acetic acid sodium?
The IUPAC name of Chlorodifluoro-acetic acid sodium (CID 45051942) is not available.
What is the SMILES notation for Chlorodifluoro-acetic acid sodium?
The canonical SMILES for Chlorodifluoro-acetic acid sodium is O=C(O)C(F)(F)Cl.[Na].
What is the InChIKey of Chlorodifluoro-acetic acid sodium?
The InChIKey is VGDJCNVLJDUYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF2O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);.
What are the key properties of Chlorodifluoro-acetic acid sodium?
Chlorodifluoro-acetic acid sodium has a molecular weight of 153.47 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Chlorodifluoro-acetic acid sodium is sourced from PubChem (CID 45051942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).