(Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one

C11H14F5NO — CID 91738774

IUPAC(Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one
SMILESCC(=O)/C=C(\N1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F5NO/c1-8(18)7-9(10(12,13)11(14,15)16)17-5-3-2-4-6-17/h7H,2-6H2,1H3/b9-7-
InChIKeyVDZWMJOAZKPVQR-CLFYSBASSA-N
MW271.23 g/mol
LogP3.14
Rot. Bonds3

About (Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one

(Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one (PubChem CID 91738774) has the molecular formula C11H14F5NO and a molecular weight of 271.23 g/mol. Its IUPAC name is (Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one.

Molecular Properties

Compound Name(Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one
PubChem CID91738774
Molecular FormulaC11H14F5NO
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name(Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one
SMILESCC(=O)/C=C(\N1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F5NO/c1-8(18)7-9(10(12,13)11(14,15)16)17-5-3-2-4-6-17/h7H,2-6H2,1H3/b9-7-
InChIKeyVDZWMJOAZKPVQR-CLFYSBASSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
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 (Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one?
The IUPAC name of (Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one (CID 91738774) is (Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one.
What is the SMILES notation for (Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one?
The canonical SMILES for (Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one is CC(=O)/C=C(\N1CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one?
The InChIKey is VDZWMJOAZKPVQR-CLFYSBASSA-N. The full InChI is InChI=1S/C11H14F5NO/c1-8(18)7-9(10(12,13)11(14,15)16)17-5-3-2-4-6-17/h7H,2-6H2,1H3/b9-7-.
What are the key properties of (Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one?
(Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one has a molecular weight of 271.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,6,6,6-pentafluoro-4-piperidin-1-ylhex-3-en-2-one is sourced from PubChem (CID 91738774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).