(Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one

C11H11F8NO — CID 10592114

IUPAC(Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one
SMILESO=C(/C=C(\C(F)(F)F)C(F)(F)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H11F8NO/c12-9(13,11(17,18)19)7(10(14,15)16)6-8(21)20-4-2-1-3-5-20/h6H,1-5H2/b7-6-
InChIKeyHUYWNIZJXKGOPO-SREVYHEPSA-N
MW325.20 g/mol
LogP3.69
Rot. Bonds2

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

(Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one (PubChem CID 10592114) has the molecular formula C11H11F8NO and a molecular weight of 325.20 g/mol. Its IUPAC name is (Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one.

Molecular Properties

Compound Name(Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one
PubChem CID10592114
Molecular FormulaC11H11F8NO
Molecular Weight325.20 g/mol
Exact Mass325.07
IUPAC Name(Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one
SMILESO=C(/C=C(\C(F)(F)F)C(F)(F)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H11F8NO/c12-9(13,11(17,18)19)7(10(14,15)16)6-8(21)20-4-2-1-3-5-20/h6H,1-5H2/b7-6-
InChIKeyHUYWNIZJXKGOPO-SREVYHEPSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.69
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 (Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one?
The IUPAC name of (Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one (CID 10592114) is (Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one.
What is the SMILES notation for (Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one?
The canonical SMILES for (Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one is O=C(/C=C(\C(F)(F)F)C(F)(F)C(F)(F)F)N1CCCCC1.
What is the InChIKey of (Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one?
The InChIKey is HUYWNIZJXKGOPO-SREVYHEPSA-N. The full InChI is InChI=1S/C11H11F8NO/c12-9(13,11(17,18)19)7(10(14,15)16)6-8(21)20-4-2-1-3-5-20/h6H,1-5H2/b7-6-.
What are the key properties of (Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one?
(Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one has a molecular weight of 325.20 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one is sourced from PubChem (CID 10592114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).