(E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide

C6H4F7NO — CID 134900883

IUPAC(E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide
SMILESNC(=O)/C=C/C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F7NO/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H,(H2,14,15)/b2-1+
InChIKeyTXNXISKDFYLLLY-OWOJBTEDSA-N
MW239.09 g/mol
LogP1.86
Rot. Bonds3

About (E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide

(E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide (PubChem CID 134900883) has the molecular formula C6H4F7NO and a molecular weight of 239.09 g/mol. Its IUPAC name is (E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide.

Molecular Properties

Compound Name(E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide
PubChem CID134900883
Molecular FormulaC6H4F7NO
Molecular Weight239.09 g/mol
Exact Mass239.02
IUPAC Name(E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide
SMILESNC(=O)/C=C/C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F7NO/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H,(H2,14,15)/b2-1+
InChIKeyTXNXISKDFYLLLY-OWOJBTEDSA-N
XLogP1.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.09
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-Trifluorocrotonamide
CID 5708781
(E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide
CID 134900774
CID 2777104
CID 2777104
(E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide
CID 22340692
3-(2,2,3,3-Tetrafluorocyclobutyl)prop-2-enamide
CID 73884014
4,4,5,6,6-Pentafluorohexa-2,5-dienamide
CID 88728990
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
2,4,5,5-Tetrafluoropent-2-enamide
CID 175508382
(Z)-6,6,6-trifluorohex-2-enamide
CID 55266504
(Z)-4,4,4-trifluorobut-2-enamide
CID 92908717

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide?
The IUPAC name of (E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide (CID 134900883) is (E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide.
What is the SMILES notation for (E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide?
The canonical SMILES for (E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide is NC(=O)/C=C/C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide?
The InChIKey is TXNXISKDFYLLLY-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H4F7NO/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H,(H2,14,15)/b2-1+.
What are the key properties of (E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide?
(E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide has a molecular weight of 239.09 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide is sourced from PubChem (CID 134900883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).