3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one

C13H11F6N3O — CID 2740080

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one
SMILESO=C1NCCCC1=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H11F6N3O/c14-12(15,16)7-4-8(13(17,18)19)6-9(5-7)21-22-10-2-1-3-20-11(10)23/h4-6,21H,1-3H2,(H,20,23)
InChIKeyLIVJFDYSFLGYEI-UHFFFAOYSA-N
MW339.24 g/mol
LogP3.40
Rot. Bonds2

About 3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one

3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one (PubChem CID 2740080) has the molecular formula C13H11F6N3O and a molecular weight of 339.24 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one
PubChem CID2740080
Molecular FormulaC13H11F6N3O
Molecular Weight339.24 g/mol
Exact Mass339.08
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one
SMILESO=C1NCCCC1=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H11F6N3O/c14-12(15,16)7-4-8(13(17,18)19)6-9(5-7)21-22-10-2-1-3-20-11(10)23/h4-6,21H,1-3H2,(H,20,23)
InChIKeyLIVJFDYSFLGYEI-UHFFFAOYSA-N
XLogP3.40
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one (CID 2740080) is 3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one is O=C1NCCCC1=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one?
The InChIKey is LIVJFDYSFLGYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6N3O/c14-12(15,16)7-4-8(13(17,18)19)6-9(5-7)21-22-10-2-1-3-20-11(10)23/h4-6,21H,1-3H2,(H,20,23).
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one?
3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one has a molecular weight of 339.24 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one is sourced from PubChem (CID 2740080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).