2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate

C11H16F5NO2 — CID 59012968

IUPAC2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate
SMILESO=C(CCN1CCCCC1)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F5NO2/c12-10(13,11(14,15)16)8-19-9(18)4-7-17-5-2-1-3-6-17/h1-8H2
InChIKeyXSOPHXGFAVRZDL-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.60
Rot. Bonds5

About 2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate

2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate (PubChem CID 59012968) has the molecular formula C11H16F5NO2 and a molecular weight of 289.24 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate
PubChem CID59012968
Molecular FormulaC11H16F5NO2
Molecular Weight289.24 g/mol
Exact Mass289.11
IUPAC Name2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate
SMILESO=C(CCN1CCCCC1)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F5NO2/c12-10(13,11(14,15)16)8-19-9(18)4-7-17-5-2-1-3-6-17/h1-8H2
InChIKeyXSOPHXGFAVRZDL-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate (CID 59012968) is 2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate is O=C(CCN1CCCCC1)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate?
The InChIKey is XSOPHXGFAVRZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5NO2/c12-10(13,11(14,15)16)8-19-9(18)4-7-17-5-2-1-3-6-17/h1-8H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate?
2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate has a molecular weight of 289.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 3-piperidin-1-ylpropanoate is sourced from PubChem (CID 59012968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).