acetic acid;formic acid;2,2,2-trifluoroacetic acid

C5H7F3O6 — CID 162535427

IUPACacetic acid;formic acid;2,2,2-trifluoroacetic acid
SMILESCC(=O)O.O=C(O)C(F)(F)F.O=CO
InChIInChI=1S/C2HF3O2.C2H4O2.CH2O2/c3-2(4,5)1(6)7;1-2(3)4;2-1-3/h(H,6,7);1H3,(H,3,4);1H,(H,2,3)
InChIKeyUWSORIBXMNIBNJ-UHFFFAOYSA-N
MW220.10 g/mol
LogP0.43
Rot. Bonds

About acetic acid;formic acid;2,2,2-trifluoroacetic acid

acetic acid;formic acid;2,2,2-trifluoroacetic acid (PubChem CID 162535427) has the molecular formula C5H7F3O6 and a molecular weight of 220.10 g/mol. Its IUPAC name is acetic acid;formic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameacetic acid;formic acid;2,2,2-trifluoroacetic acid
PubChem CID162535427
Molecular FormulaC5H7F3O6
Molecular Weight220.10 g/mol
Exact Mass220.02
IUPAC Nameacetic acid;formic acid;2,2,2-trifluoroacetic acid
SMILESCC(=O)O.O=C(O)C(F)(F)F.O=CO
InChIInChI=1S/C2HF3O2.C2H4O2.CH2O2/c3-2(4,5)1(6)7;1-2(3)4;2-1-3/h(H,6,7);1H3,(H,3,4);1H,(H,2,3)
InChIKeyUWSORIBXMNIBNJ-UHFFFAOYSA-N
XLogP0.43
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;formic acid;2,2,2-trifluoroacetic acid
CID 174575097
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;formic acid;hydrogen peroxide
CID 172718921
acetic acid;formic acid;hydrate
CID 158162755
acetic acid;formic acid;methanol;hydrate
CID 162111021
acetic acid;formic acid;methanamine
CID 174229487
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516

Frequently Asked Questions

What is the IUPAC name of acetic acid;formic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of acetic acid;formic acid;2,2,2-trifluoroacetic acid (CID 162535427) is acetic acid;formic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for acetic acid;formic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for acetic acid;formic acid;2,2,2-trifluoroacetic acid is CC(=O)O.O=C(O)C(F)(F)F.O=CO.
What is the InChIKey of acetic acid;formic acid;2,2,2-trifluoroacetic acid?
The InChIKey is UWSORIBXMNIBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H4O2.CH2O2/c3-2(4,5)1(6)7;1-2(3)4;2-1-3/h(H,6,7);1H3,(H,3,4);1H,(H,2,3).
What are the key properties of acetic acid;formic acid;2,2,2-trifluoroacetic acid?
acetic acid;formic acid;2,2,2-trifluoroacetic acid has a molecular weight of 220.10 g/mol, XLogP of 0.43, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;formic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162535427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).