2,2,2-trifluoro-N-prop-2-ynylacetamide

C5H4F3NO — CID 11094805

IUPAC2,2,2-trifluoro-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)C(F)(F)F
InChIInChI=1S/C5H4F3NO/c1-2-3-9-4(10)5(6,7)8/h1H,3H2,(H,9,10)
InChIKeyGAUSMJHDHCSZOX-UHFFFAOYSA-N
MW151.09 g/mol
LogP0.30
Rot. Bonds1

About 2,2,2-trifluoro-N-prop-2-ynylacetamide

2,2,2-trifluoro-N-prop-2-ynylacetamide (PubChem CID 11094805) has the molecular formula C5H4F3NO and a molecular weight of 151.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-prop-2-ynylacetamide
PubChem CID11094805
Molecular FormulaC5H4F3NO
Molecular Weight151.09 g/mol
Exact Mass151.02
IUPAC Name2,2,2-trifluoro-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)C(F)(F)F
InChIInChI=1S/C5H4F3NO/c1-2-3-9-4(10)5(6,7)8/h1H,3H2,(H,9,10)
InChIKeyGAUSMJHDHCSZOX-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-prop-2-ynylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-prop-2-ynylacetamide (CID 11094805) is 2,2,2-trifluoro-N-prop-2-ynylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-prop-2-ynylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-prop-2-ynylacetamide is C#CCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-prop-2-ynylacetamide?
The InChIKey is GAUSMJHDHCSZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO/c1-2-3-9-4(10)5(6,7)8/h1H,3H2,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-prop-2-ynylacetamide?
2,2,2-trifluoro-N-prop-2-ynylacetamide has a molecular weight of 151.09 g/mol, XLogP of 0.30, 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-prop-2-ynylacetamide is sourced from PubChem (CID 11094805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).