1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one

C7H4F9NO — CID 15051445

IUPAC1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one
SMILESO=C(C/C(=N\CC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F9NO/c8-5(9,10)2-17-3(6(11,12)13)1-4(18)7(14,15)16/h1-2H2/b17-3+
InChIKeyWYCFMUUVADBLQW-IJUHEHPCSA-N
MW289.10 g/mol
LogP3.07
Rot. Bonds3

About 1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one

1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one (PubChem CID 15051445) has the molecular formula C7H4F9NO and a molecular weight of 289.10 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one
PubChem CID15051445
Molecular FormulaC7H4F9NO
Molecular Weight289.10 g/mol
Exact Mass289.01
IUPAC Name1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one
SMILESO=C(C/C(=N\CC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F9NO/c8-5(9,10)2-17-3(6(11,12)13)1-4(18)7(14,15)16/h1-2H2/b17-3+
InChIKeyWYCFMUUVADBLQW-IJUHEHPCSA-N
XLogP3.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one (CID 15051445) is 1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one is O=C(C/C(=N\CC(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one?
The InChIKey is WYCFMUUVADBLQW-IJUHEHPCSA-N. The full InChI is InChI=1S/C7H4F9NO/c8-5(9,10)2-17-3(6(11,12)13)1-4(18)7(14,15)16/h1-2H2/b17-3+.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one?
1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one has a molecular weight of 289.10 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one is sourced from PubChem (CID 15051445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).