2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate

C10H14F5NO2 — CID 59204077

IUPAC2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCCN1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO2/c11-9(12,10(13,14)15)8(17)18-7-6-16-4-2-1-3-5-16/h1-7H2
InChIKeyNNWBCEVDAAVPQL-UHFFFAOYSA-N
MW275.22 g/mol
LogP2.21
Rot. Bonds4

About 2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate

2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 59204077) has the molecular formula C10H14F5NO2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID59204077
Molecular FormulaC10H14F5NO2
Molecular Weight275.22 g/mol
Exact Mass275.09
IUPAC Name2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCCN1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO2/c11-9(12,10(13,14)15)8(17)18-7-6-16-4-2-1-3-5-16/h1-7H2
InChIKeyNNWBCEVDAAVPQL-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.21
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-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate (CID 59204077) is 2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate is O=C(OCCN1CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is NNWBCEVDAAVPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO2/c11-9(12,10(13,14)15)8(17)18-7-6-16-4-2-1-3-5-16/h1-7H2.
What are the key properties of 2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate?
2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 275.22 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 59204077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).