2,2-difluoropent-4-enamide

C5H7F2NO — CID 15021206

IUPAC2,2-difluoropent-4-enamide
SMILESC=CCC(F)(F)C(N)=O
InChIInChI=1S/C5H7F2NO/c1-2-3-5(6,7)4(8)9/h2H,1,3H2,(H2,8,9)
InChIKeyGUTUDWSTXIFHCA-UHFFFAOYSA-N
MW135.11 g/mol
LogP0.68
Rot. Bonds3

About 2,2-difluoropent-4-enamide

2,2-difluoropent-4-enamide (PubChem CID 15021206) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 2,2-difluoropent-4-enamide.

Molecular Properties

Compound Name2,2-difluoropent-4-enamide
PubChem CID15021206
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name2,2-difluoropent-4-enamide
SMILESC=CCC(F)(F)C(N)=O
InChIInChI=1S/C5H7F2NO/c1-2-3-5(6,7)4(8)9/h2H,1,3H2,(H2,8,9)
InChIKeyGUTUDWSTXIFHCA-UHFFFAOYSA-N
XLogP0.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropent-4-enamide?
The IUPAC name of 2,2-difluoropent-4-enamide (CID 15021206) is 2,2-difluoropent-4-enamide.
What is the SMILES notation for 2,2-difluoropent-4-enamide?
The canonical SMILES for 2,2-difluoropent-4-enamide is C=CCC(F)(F)C(N)=O.
What is the InChIKey of 2,2-difluoropent-4-enamide?
The InChIKey is GUTUDWSTXIFHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c1-2-3-5(6,7)4(8)9/h2H,1,3H2,(H2,8,9).
What are the key properties of 2,2-difluoropent-4-enamide?
2,2-difluoropent-4-enamide has a molecular weight of 135.11 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropent-4-enamide is sourced from PubChem (CID 15021206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).