acetamide;2,2,2-trifluoroacetic acid

C4H6F3NO3 — CID 23071095

IUPACacetamide;2,2,2-trifluoroacetic acid
SMILESCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H5NO/c3-2(4,5)1(6)7;1-2(3)4/h(H,6,7);1H3,(H2,3,4)
InChIKeyXCJLXFIGEMUOEE-UHFFFAOYSA-N
MW173.09 g/mol
LogP0.12
Rot. Bonds

About acetamide;2,2,2-trifluoroacetic acid

acetamide;2,2,2-trifluoroacetic acid (PubChem CID 23071095) has the molecular formula C4H6F3NO3 and a molecular weight of 173.09 g/mol. Its IUPAC name is acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameacetamide;2,2,2-trifluoroacetic acid
PubChem CID23071095
Molecular FormulaC4H6F3NO3
Molecular Weight173.09 g/mol
Exact Mass173.03
IUPAC Nameacetamide;2,2,2-trifluoroacetic acid
SMILESCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H5NO/c3-2(4,5)1(6)7;1-2(3)4/h(H,6,7);1H3,(H2,3,4)
InChIKeyXCJLXFIGEMUOEE-UHFFFAOYSA-N
XLogP0.12
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of acetamide;2,2,2-trifluoroacetic acid (CID 23071095) is acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for acetamide;2,2,2-trifluoroacetic acid is CC(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is XCJLXFIGEMUOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H5NO/c3-2(4,5)1(6)7;1-2(3)4/h(H,6,7);1H3,(H2,3,4).
What are the key properties of acetamide;2,2,2-trifluoroacetic acid?
acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 173.09 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 23071095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).