methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide

C7H12F3NO3 — CID 144906274

IUPACmethanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide
SMILESCC(C=O)CNC(=O)C(F)(F)F.CO
InChIInChI=1S/C6H8F3NO2.CH4O/c1-4(3-11)2-10-5(12)6(7,8)9;1-2/h3-4H,2H2,1H3,(H,10,12);2H,1H3
InChIKeyAPSIBSGDSADLMD-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.11
Rot. Bonds3

About methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide

methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide (PubChem CID 144906274) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide.

Molecular Properties

Compound Namemethanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide
PubChem CID144906274
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Namemethanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide
SMILESCC(C=O)CNC(=O)C(F)(F)F.CO
InChIInChI=1S/C6H8F3NO2.CH4O/c1-4(3-11)2-10-5(12)6(7,8)9;1-2/h3-4H,2H2,1H3,(H,10,12);2H,1H3
InChIKeyAPSIBSGDSADLMD-UHFFFAOYSA-N
XLogP0.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide?
The IUPAC name of methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide (CID 144906274) is methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide.
What is the SMILES notation for methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide?
The canonical SMILES for methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide is CC(C=O)CNC(=O)C(F)(F)F.CO.
What is the InChIKey of methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide?
The InChIKey is APSIBSGDSADLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2.CH4O/c1-4(3-11)2-10-5(12)6(7,8)9;1-2/h3-4H,2H2,1H3,(H,10,12);2H,1H3.
What are the key properties of methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide?
methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide has a molecular weight of 215.17 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2,2,2-trifluoro-N-(2-methyl-3-oxopropyl)acetamide is sourced from PubChem (CID 144906274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).