2,2,2-trifluoro-N-propa-1,2-dienylacetamide

C5H4F3NO — CID 90916009

IUPAC2,2,2-trifluoro-N-propa-1,2-dienylacetamide
SMILESC=C=CNC(=O)C(F)(F)F
InChIInChI=1S/C5H4F3NO/c1-2-3-9-4(10)5(6,7)8/h3H,1H2,(H,9,10)
InChIKeyIQBKOHWUUGLXDG-UHFFFAOYSA-N
MW151.09 g/mol
LogP0.96
Rot. Bonds1

About 2,2,2-trifluoro-N-propa-1,2-dienylacetamide

2,2,2-trifluoro-N-propa-1,2-dienylacetamide (PubChem CID 90916009) has the molecular formula C5H4F3NO and a molecular weight of 151.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-propa-1,2-dienylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-propa-1,2-dienylacetamide
PubChem CID90916009
Molecular FormulaC5H4F3NO
Molecular Weight151.09 g/mol
Exact Mass151.02
IUPAC Name2,2,2-trifluoro-N-propa-1,2-dienylacetamide
SMILESC=C=CNC(=O)C(F)(F)F
InChIInChI=1S/C5H4F3NO/c1-2-3-9-4(10)5(6,7)8/h3H,1H2,(H,9,10)
InChIKeyIQBKOHWUUGLXDG-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-propa-1,2-dienylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-propa-1,2-dienylacetamide (CID 90916009) is 2,2,2-trifluoro-N-propa-1,2-dienylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-propa-1,2-dienylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-propa-1,2-dienylacetamide is C=C=CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-propa-1,2-dienylacetamide?
The InChIKey is IQBKOHWUUGLXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO/c1-2-3-9-4(10)5(6,7)8/h3H,1H2,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-propa-1,2-dienylacetamide?
2,2,2-trifluoro-N-propa-1,2-dienylacetamide has a molecular weight of 151.09 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-propa-1,2-dienylacetamide is sourced from PubChem (CID 90916009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).