2,2,2-trifluoro-N-methoxy-N-methylacetamide

C4H6F3NO2 — CID 2782382

IUPAC2,2,2-trifluoro-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c1-8(10-2)3(9)4(5,6)7/h1-2H3
InChIKeyJDBJZZTZYKUFFK-UHFFFAOYSA-N
MW157.09 g/mol
LogP0.57
Rot. Bonds1

About 2,2,2-trifluoro-N-methoxy-N-methylacetamide

2,2,2-trifluoro-N-methoxy-N-methylacetamide (PubChem CID 2782382) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methoxy-N-methylacetamide
PubChem CID2782382
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name2,2,2-trifluoro-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c1-8(10-2)3(9)4(5,6)7/h1-2H3
InChIKeyJDBJZZTZYKUFFK-UHFFFAOYSA-N
XLogP0.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methoxy-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methoxy-N-methylacetamide (CID 2782382) is 2,2,2-trifluoro-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methoxy-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methoxy-N-methylacetamide is CON(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methoxy-N-methylacetamide?
The InChIKey is JDBJZZTZYKUFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c1-8(10-2)3(9)4(5,6)7/h1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methoxy-N-methylacetamide?
2,2,2-trifluoro-N-methoxy-N-methylacetamide has a molecular weight of 157.09 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methoxy-N-methylacetamide is sourced from PubChem (CID 2782382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).