3,4,4-trifluoro-N-hydroxybut-3-enamide

C4H4F3NO2 — CID 15239182

IUPAC3,4,4-trifluoro-N-hydroxybut-3-enamide
SMILESO=C(CC(F)=C(F)F)NO
InChIInChI=1S/C4H4F3NO2/c5-2(4(6)7)1-3(9)8-10/h10H,1H2,(H,8,9)
InChIKeyAISJJDHOCPQZGF-UHFFFAOYSA-N
MW155.07 g/mol
LogP0.96
Rot. Bonds2

About 3,4,4-trifluoro-N-hydroxybut-3-enamide

3,4,4-trifluoro-N-hydroxybut-3-enamide (PubChem CID 15239182) has the molecular formula C4H4F3NO2 and a molecular weight of 155.07 g/mol. Its IUPAC name is 3,4,4-trifluoro-N-hydroxybut-3-enamide.

Molecular Properties

Compound Name3,4,4-trifluoro-N-hydroxybut-3-enamide
PubChem CID15239182
Molecular FormulaC4H4F3NO2
Molecular Weight155.07 g/mol
Exact Mass155.02
IUPAC Name3,4,4-trifluoro-N-hydroxybut-3-enamide
SMILESO=C(CC(F)=C(F)F)NO
InChIInChI=1S/C4H4F3NO2/c5-2(4(6)7)1-3(9)8-10/h10H,1H2,(H,8,9)
InChIKeyAISJJDHOCPQZGF-UHFFFAOYSA-N
XLogP0.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trifluoro-N-hydroxybut-3-enamide?
The IUPAC name of 3,4,4-trifluoro-N-hydroxybut-3-enamide (CID 15239182) is 3,4,4-trifluoro-N-hydroxybut-3-enamide.
What is the SMILES notation for 3,4,4-trifluoro-N-hydroxybut-3-enamide?
The canonical SMILES for 3,4,4-trifluoro-N-hydroxybut-3-enamide is O=C(CC(F)=C(F)F)NO.
What is the InChIKey of 3,4,4-trifluoro-N-hydroxybut-3-enamide?
The InChIKey is AISJJDHOCPQZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO2/c5-2(4(6)7)1-3(9)8-10/h10H,1H2,(H,8,9).
What are the key properties of 3,4,4-trifluoro-N-hydroxybut-3-enamide?
3,4,4-trifluoro-N-hydroxybut-3-enamide has a molecular weight of 155.07 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluoro-N-hydroxybut-3-enamide is sourced from PubChem (CID 15239182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).