N-methyl-N-(trifluoromethyl)acetamide

C4H6F3NO — CID 57124924

IUPACN-methyl-N-(trifluoromethyl)acetamide
SMILESCC(=O)N(C)C(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-3(9)8(2)4(5,6)7/h1-2H3
InChIKeyDYZKLPYAVDIITN-UHFFFAOYSA-N
MW141.09 g/mol
LogP0.98
Rot. Bonds

About N-methyl-N-(trifluoromethyl)acetamide

N-methyl-N-(trifluoromethyl)acetamide (PubChem CID 57124924) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is N-methyl-N-(trifluoromethyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(trifluoromethyl)acetamide
PubChem CID57124924
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC NameN-methyl-N-(trifluoromethyl)acetamide
SMILESCC(=O)N(C)C(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-3(9)8(2)4(5,6)7/h1-2H3
InChIKeyDYZKLPYAVDIITN-UHFFFAOYSA-N
XLogP0.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(trifluoromethyl)acetamide?
The IUPAC name of N-methyl-N-(trifluoromethyl)acetamide (CID 57124924) is N-methyl-N-(trifluoromethyl)acetamide.
What is the SMILES notation for N-methyl-N-(trifluoromethyl)acetamide?
The canonical SMILES for N-methyl-N-(trifluoromethyl)acetamide is CC(=O)N(C)C(F)(F)F.
What is the InChIKey of N-methyl-N-(trifluoromethyl)acetamide?
The InChIKey is DYZKLPYAVDIITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c1-3(9)8(2)4(5,6)7/h1-2H3.
What are the key properties of N-methyl-N-(trifluoromethyl)acetamide?
N-methyl-N-(trifluoromethyl)acetamide has a molecular weight of 141.09 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(trifluoromethyl)acetamide is sourced from PubChem (CID 57124924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).