2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid

C4H2F4O6 — CID 141118237

IUPAC2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)OOC(F)(F)C(=O)O
InChIInChI=1S/C4H2F4O6/c5-3(6,1(9)10)13-14-4(7,8)2(11)12/h(H,9,10)(H,11,12)
InChIKeyFTZPSGFARNBDCF-UHFFFAOYSA-N
MW222.05 g/mol
LogP0.29
Rot. Bonds5

About 2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid

2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid (PubChem CID 141118237) has the molecular formula C4H2F4O6 and a molecular weight of 222.05 g/mol. Its IUPAC name is 2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid
PubChem CID141118237
Molecular FormulaC4H2F4O6
Molecular Weight222.05 g/mol
Exact Mass221.98
IUPAC Name2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)OOC(F)(F)C(=O)O
InChIInChI=1S/C4H2F4O6/c5-3(6,1(9)10)13-14-4(7,8)2(11)12/h(H,9,10)(H,11,12)
InChIKeyFTZPSGFARNBDCF-UHFFFAOYSA-N
XLogP0.29
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.05
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid
CID 15570709
azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
CID 175001633
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
2,2-difluoropropanedioic acid
CID 10130002
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
2-[1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
CID 162396472

Frequently Asked Questions

What is the IUPAC name of 2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid?
The IUPAC name of 2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid (CID 141118237) is 2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid.
What is the SMILES notation for 2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid?
The canonical SMILES for 2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid is O=C(O)C(F)(F)OOC(F)(F)C(=O)O.
What is the InChIKey of 2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid?
The InChIKey is FTZPSGFARNBDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4O6/c5-3(6,1(9)10)13-14-4(7,8)2(11)12/h(H,9,10)(H,11,12).
What are the key properties of 2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid?
2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid has a molecular weight of 222.05 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid is sourced from PubChem (CID 141118237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).