2,2,2-trifluoro-N-methylideneacetamide

C3H2F3NO — CID 23191452

IUPAC2,2,2-trifluoro-N-methylideneacetamide
SMILESC=NC(=O)C(F)(F)F
InChIInChI=1S/C3H2F3NO/c1-7-2(8)3(4,5)6/h1H2
InChIKeyWTKXZYLBYPRLRX-UHFFFAOYSA-N
MW125.05 g/mol
LogP0.78
Rot. Bonds

About 2,2,2-trifluoro-N-methylideneacetamide

2,2,2-trifluoro-N-methylideneacetamide (PubChem CID 23191452) has the molecular formula C3H2F3NO and a molecular weight of 125.05 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methylideneacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methylideneacetamide
PubChem CID23191452
Molecular FormulaC3H2F3NO
Molecular Weight125.05 g/mol
Exact Mass125.01
IUPAC Name2,2,2-trifluoro-N-methylideneacetamide
SMILESC=NC(=O)C(F)(F)F
InChIInChI=1S/C3H2F3NO/c1-7-2(8)3(4,5)6/h1H2
InChIKeyWTKXZYLBYPRLRX-UHFFFAOYSA-N
XLogP0.78
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.05
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methylideneacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methylideneacetamide (CID 23191452) is 2,2,2-trifluoro-N-methylideneacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methylideneacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methylideneacetamide is C=NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methylideneacetamide?
The InChIKey is WTKXZYLBYPRLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3NO/c1-7-2(8)3(4,5)6/h1H2.
What are the key properties of 2,2,2-trifluoro-N-methylideneacetamide?
2,2,2-trifluoro-N-methylideneacetamide has a molecular weight of 125.05 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methylideneacetamide is sourced from PubChem (CID 23191452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).