(E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one

C7H6F7NO — CID 15892727

IUPAC(E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one
SMILESCN/C=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F7NO/c1-15-3-2-4(16)5(8,9)6(10,11)7(12,13)14/h2-3,15H,1H3/b3-2+
InChIKeyPANZKQSJHKZHQR-NSCUHMNNSA-N
MW253.12 g/mol
LogP2.12
Rot. Bonds4

About (E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one

(E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one (PubChem CID 15892727) has the molecular formula C7H6F7NO and a molecular weight of 253.12 g/mol. Its IUPAC name is (E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one.

Molecular Properties

Compound Name(E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one
PubChem CID15892727
Molecular FormulaC7H6F7NO
Molecular Weight253.12 g/mol
Exact Mass253.03
IUPAC Name(E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one
SMILESCN/C=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F7NO/c1-15-3-2-4(16)5(8,9)6(10,11)7(12,13)14/h2-3,15H,1H3/b3-2+
InChIKeyPANZKQSJHKZHQR-NSCUHMNNSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.12
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one?
The IUPAC name of (E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one (CID 15892727) is (E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one.
What is the SMILES notation for (E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one?
The canonical SMILES for (E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one is CN/C=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one?
The InChIKey is PANZKQSJHKZHQR-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H6F7NO/c1-15-3-2-4(16)5(8,9)6(10,11)7(12,13)14/h2-3,15H,1H3/b3-2+.
What are the key properties of (E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one?
(E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one has a molecular weight of 253.12 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one is sourced from PubChem (CID 15892727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).