N-methylacetamide;2,2,2-trifluoroacetic acid

C5H8F3NO3 — CID 22626395

IUPACN-methylacetamide;2,2,2-trifluoroacetic acid
SMILESCNC(C)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7NO.C2HF3O2/c1-3(5)4-2;3-2(4,5)1(6)7/h1-2H3,(H,4,5);(H,6,7)
InChIKeyWFKZYOOEIFWHFR-UHFFFAOYSA-N
MW187.12 g/mol
LogP0.39
Rot. Bonds

About N-methylacetamide;2,2,2-trifluoroacetic acid

N-methylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 22626395) has the molecular formula C5H8F3NO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is N-methylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methylacetamide;2,2,2-trifluoroacetic acid
PubChem CID22626395
Molecular FormulaC5H8F3NO3
Molecular Weight187.12 g/mol
Exact Mass187.05
IUPAC NameN-methylacetamide;2,2,2-trifluoroacetic acid
SMILESCNC(C)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7NO.C2HF3O2/c1-3(5)4-2;3-2(4,5)1(6)7/h1-2H3,(H,4,5);(H,6,7)
InChIKeyWFKZYOOEIFWHFR-UHFFFAOYSA-N
XLogP0.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methylacetamide;2,2,2-trifluoroacetic acid (CID 22626395) is N-methylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methylacetamide;2,2,2-trifluoroacetic acid is CNC(C)=O.O=C(O)C(F)(F)F.
What is the InChIKey of N-methylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is WFKZYOOEIFWHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C2HF3O2/c1-3(5)4-2;3-2(4,5)1(6)7/h1-2H3,(H,4,5);(H,6,7).
What are the key properties of N-methylacetamide;2,2,2-trifluoroacetic acid?
N-methylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 187.12 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22626395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).