2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

C5H8F3NO2 — CID 4104851

IUPAC2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-11-3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyTXIKYJAQOLKBSZ-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.31
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (PubChem CID 4104851) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
PubChem CID4104851
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-11-3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyTXIKYJAQOLKBSZ-UHFFFAOYSA-N
XLogP0.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (CID 4104851) is 2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is COCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The InChIKey is TXIKYJAQOLKBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-11-3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
2,2,2-trifluoro-N-(2-methoxyethyl)acetamide has a molecular weight of 171.12 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 4104851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).