(E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one

C6H6F5NO — CID 15892726

IUPAC(E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one
SMILESCN/C=C/C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F5NO/c1-12-3-2-4(13)5(7,8)6(9,10)11/h2-3,12H,1H3/b3-2+
InChIKeyWDAAQQITDRIBIY-NSCUHMNNSA-N
MW203.11 g/mol
LogP1.49
Rot. Bonds3

About (E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one

(E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one (PubChem CID 15892726) has the molecular formula C6H6F5NO and a molecular weight of 203.11 g/mol. Its IUPAC name is (E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one.

Molecular Properties

Compound Name(E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one
PubChem CID15892726
Molecular FormulaC6H6F5NO
Molecular Weight203.11 g/mol
Exact Mass203.04
IUPAC Name(E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one
SMILESCN/C=C/C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F5NO/c1-12-3-2-4(13)5(7,8)6(9,10)11/h2-3,12H,1H3/b3-2+
InChIKeyWDAAQQITDRIBIY-NSCUHMNNSA-N
XLogP1.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 51.49
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)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one?
The IUPAC name of (E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one (CID 15892726) is (E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one.
What is the SMILES notation for (E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one?
The canonical SMILES for (E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one is CN/C=C/C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one?
The InChIKey is WDAAQQITDRIBIY-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H6F5NO/c1-12-3-2-4(13)5(7,8)6(9,10)11/h2-3,12H,1H3/b3-2+.
What are the key properties of (E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one?
(E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one has a molecular weight of 203.11 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,5-pentafluoro-1-(methylamino)pent-1-en-3-one is sourced from PubChem (CID 15892726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).