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

C8H9F6NO2 — CID 86180035

IUPAC1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one
SMILESCOCC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F6NO2/c1-17-3-2-15-5(7(9,10)11)4-6(16)8(12,13)14/h2-4H2,1H3/b15-5+
InChIKeyKVQJFCJLSFMLBW-PJQLUOCWSA-N
MW265.15 g/mol
LogP2.16
Rot. Bonds5

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

1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one (PubChem CID 86180035) has the molecular formula C8H9F6NO2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one
PubChem CID86180035
Molecular FormulaC8H9F6NO2
Molecular Weight265.15 g/mol
Exact Mass265.05
IUPAC Name1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one
SMILESCOCC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F6NO2/c1-17-3-2-15-5(7(9,10)11)4-6(16)8(12,13)14/h2-4H2,1H3/b15-5+
InChIKeyKVQJFCJLSFMLBW-PJQLUOCWSA-N
XLogP2.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-4-(2-hydroxyethylimino)pentan-2-one
CID 90899458
1,1,1-Trifluoro-4-(2-methoxyethylimino)pentan-2-one
CID 8025311
4-(2,2-Dimethoxyethylimino)-1,1,1-trifluoropentan-2-one
CID 8025306
4-(2-Methoxyethylimino)pentan-2-one
CID 15537421

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one (CID 86180035) is 1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one is COCC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one?
The InChIKey is KVQJFCJLSFMLBW-PJQLUOCWSA-N. The full InChI is InChI=1S/C8H9F6NO2/c1-17-3-2-15-5(7(9,10)11)4-6(16)8(12,13)14/h2-4H2,1H3/b15-5+.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one?
1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one has a molecular weight of 265.15 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-(2-methoxyethylimino)pentan-2-one is sourced from PubChem (CID 86180035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).