acetic acid;pyrazine;2,2,2-trifluoroacetic acid

C8H9F3N2O4 — CID 174725672

IUPACacetic acid;pyrazine;2,2,2-trifluoroacetic acid
SMILESCC(=O)O.O=C(O)C(F)(F)F.c1cnccn1
InChIInChI=1S/C4H4N2.C2HF3O2.C2H4O2/c1-2-6-4-3-5-1;3-2(4,5)1(6)7;1-2(3)4/h1-4H;(H,6,7);1H3,(H,3,4)
InChIKeyHMDDLIBVRYIKFN-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.20
Rot. Bonds

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

acetic acid;pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 174725672) has the molecular formula C8H9F3N2O4 and a molecular weight of 254.16 g/mol. Its IUPAC name is acetic acid;pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameacetic acid;pyrazine;2,2,2-trifluoroacetic acid
PubChem CID174725672
Molecular FormulaC8H9F3N2O4
Molecular Weight254.16 g/mol
Exact Mass254.05
IUPAC Nameacetic acid;pyrazine;2,2,2-trifluoroacetic acid
SMILESCC(=O)O.O=C(O)C(F)(F)F.c1cnccn1
InChIInChI=1S/C4H4N2.C2HF3O2.C2H4O2/c1-2-6-4-3-5-1;3-2(4,5)1(6)7;1-2(3)4/h1-4H;(H,6,7);1H3,(H,3,4)
InChIKeyHMDDLIBVRYIKFN-UHFFFAOYSA-N
XLogP1.20
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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;2,2,2-trifluoroacetic acid
CID 162535427
bis(pyridine);2,2,2-trifluoroacetic acid;trifluoromethanesulfonic acid
CID 171925074
acetic acid;4-(trifluoromethyl)pyridine;hydrobromide
CID 174739301
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
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
CID 85392225
CID 85392225
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516

Frequently Asked Questions

What is the IUPAC name of acetic acid;pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of acetic acid;pyrazine;2,2,2-trifluoroacetic acid (CID 174725672) is acetic acid;pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for acetic acid;pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for acetic acid;pyrazine;2,2,2-trifluoroacetic acid is CC(=O)O.O=C(O)C(F)(F)F.c1cnccn1.
What is the InChIKey of acetic acid;pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is HMDDLIBVRYIKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C2HF3O2.C2H4O2/c1-2-6-4-3-5-1;3-2(4,5)1(6)7;1-2(3)4/h1-4H;(H,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;pyrazine;2,2,2-trifluoroacetic acid?
acetic acid;pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 254.16 g/mol, XLogP of 1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174725672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).