(E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one

C11H10F9NO — CID 2255884

IUPAC(E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one
SMILESO=C(/C(=C(\F)C(F)(F)C(F)(F)F)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H10F9NO/c12-7(9(13,14)11(18,19)20)6(10(15,16)17)8(22)21-4-2-1-3-5-21/h1-5H2/b7-6+
InChIKeyHYUSFSGLFJMHOW-VOTSOKGWSA-N
MW343.19 g/mol
LogP3.98
Rot. Bonds2

About (E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one

(E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one (PubChem CID 2255884) has the molecular formula C11H10F9NO and a molecular weight of 343.19 g/mol. Its IUPAC name is (E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one.

Molecular Properties

Compound Name(E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one
PubChem CID2255884
Molecular FormulaC11H10F9NO
Molecular Weight343.19 g/mol
Exact Mass343.06
IUPAC Name(E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one
SMILESO=C(/C(=C(\F)C(F)(F)C(F)(F)F)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H10F9NO/c12-7(9(13,14)11(18,19)20)6(10(15,16)17)8(22)21-4-2-1-3-5-21/h1-5H2/b7-6+
InChIKeyHYUSFSGLFJMHOW-VOTSOKGWSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 53.98
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one?
The IUPAC name of (E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one (CID 2255884) is (E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one.
What is the SMILES notation for (E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one?
The canonical SMILES for (E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one is O=C(/C(=C(\F)C(F)(F)C(F)(F)F)C(F)(F)F)N1CCCCC1.
What is the InChIKey of (E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one?
The InChIKey is HYUSFSGLFJMHOW-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H10F9NO/c12-7(9(13,14)11(18,19)20)6(10(15,16)17)8(22)21-4-2-1-3-5-21/h1-5H2/b7-6+.
What are the key properties of (E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one?
(E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one has a molecular weight of 343.19 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4,4,5,5,5-hexafluoro-1-piperidin-1-yl-2-(trifluoromethyl)pent-2-en-1-one is sourced from PubChem (CID 2255884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).