4,4,5,6,6-pentafluorohexa-2,5-dienamide

C6H4F5NO — CID 88728990

IUPAC4,4,5,6,6-pentafluorohexa-2,5-dienamide
SMILESNC(=O)C=CC(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H4F5NO/c7-4(5(8)9)6(10,11)2-1-3(12)13/h1-2H,(H2,12,13)
InChIKeyOEXGTXMHUFUDDT-UHFFFAOYSA-N
MW201.09 g/mol
LogP1.74
Rot. Bonds3

About 4,4,5,6,6-pentafluorohexa-2,5-dienamide

4,4,5,6,6-pentafluorohexa-2,5-dienamide (PubChem CID 88728990) has the molecular formula C6H4F5NO and a molecular weight of 201.09 g/mol. Its IUPAC name is 4,4,5,6,6-pentafluorohexa-2,5-dienamide.

Molecular Properties

Compound Name4,4,5,6,6-pentafluorohexa-2,5-dienamide
PubChem CID88728990
Molecular FormulaC6H4F5NO
Molecular Weight201.09 g/mol
Exact Mass201.02
IUPAC Name4,4,5,6,6-pentafluorohexa-2,5-dienamide
SMILESNC(=O)C=CC(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H4F5NO/c7-4(5(8)9)6(10,11)2-1-3(12)13/h1-2H,(H2,12,13)
InChIKeyOEXGTXMHUFUDDT-UHFFFAOYSA-N
XLogP1.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.09
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,4,4-Trifluorocrotonamide
CID 5708781
(E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide
CID 134900883
CID 2777104
CID 2777104
(2Z)-2-fluorohexa-2,5-dienamide
CID 87881751
4,4,5,5,6,6,7-Heptafluorohept-2-enamide
CID 89922233
5-Fluoropent-2-enamide
CID 141430540
5,5,5-Trifluoropent-2-enamide
CID 154272221
4-(Trifluoromethyl)penta-2,4-dienamide
CID 154638229
(E)-4,4-difluorobut-2-enamide
CID 155620840
(E)-N,4,4,4-tetrafluorobut-2-enamide
CID 162526665
4,4-Difluorobut-2-enamide
CID 174156363
2,4,5,5-Tetrafluoropent-2-enamide
CID 175508382

Frequently Asked Questions

What is the IUPAC name of 4,4,5,6,6-pentafluorohexa-2,5-dienamide?
The IUPAC name of 4,4,5,6,6-pentafluorohexa-2,5-dienamide (CID 88728990) is 4,4,5,6,6-pentafluorohexa-2,5-dienamide.
What is the SMILES notation for 4,4,5,6,6-pentafluorohexa-2,5-dienamide?
The canonical SMILES for 4,4,5,6,6-pentafluorohexa-2,5-dienamide is NC(=O)C=CC(F)(F)C(F)=C(F)F.
What is the InChIKey of 4,4,5,6,6-pentafluorohexa-2,5-dienamide?
The InChIKey is OEXGTXMHUFUDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F5NO/c7-4(5(8)9)6(10,11)2-1-3(12)13/h1-2H,(H2,12,13).
What are the key properties of 4,4,5,6,6-pentafluorohexa-2,5-dienamide?
4,4,5,6,6-pentafluorohexa-2,5-dienamide has a molecular weight of 201.09 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6,6-pentafluorohexa-2,5-dienamide is sourced from PubChem (CID 88728990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).