5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one

C11H9F5N2O — CID 63662841

IUPAC5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one
SMILESO=C1CCC(Nc2c(F)c(F)c(F)c(F)c2F)CN1
InChIInChI=1S/C11H9F5N2O/c12-6-7(13)9(15)11(10(16)8(6)14)18-4-1-2-5(19)17-3-4/h4,18H,1-3H2,(H,17,19)
InChIKeyIBLZDSHHUAYVTI-UHFFFAOYSA-N
MW280.20 g/mol
LogP2.07
Rot. Bonds2

About 5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one

5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one (PubChem CID 63662841) has the molecular formula C11H9F5N2O and a molecular weight of 280.20 g/mol. Its IUPAC name is 5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one.

Molecular Properties

Compound Name5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one
PubChem CID63662841
Molecular FormulaC11H9F5N2O
Molecular Weight280.20 g/mol
Exact Mass280.06
IUPAC Name5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one
SMILESO=C1CCC(Nc2c(F)c(F)c(F)c(F)c2F)CN1
InChIInChI=1S/C11H9F5N2O/c12-6-7(13)9(15)11(10(16)8(6)14)18-4-1-2-5(19)17-3-4/h4,18H,1-3H2,(H,17,19)
InChIKeyIBLZDSHHUAYVTI-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one?
The IUPAC name of 5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one (CID 63662841) is 5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one.
What is the SMILES notation for 5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one?
The canonical SMILES for 5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one is O=C1CCC(Nc2c(F)c(F)c(F)c(F)c2F)CN1.
What is the InChIKey of 5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one?
The InChIKey is IBLZDSHHUAYVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5N2O/c12-6-7(13)9(15)11(10(16)8(6)14)18-4-1-2-5(19)17-3-4/h4,18H,1-3H2,(H,17,19).
What are the key properties of 5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one?
5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one has a molecular weight of 280.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one is sourced from PubChem (CID 63662841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).