2,2,2-trifluoroethyl 2-piperidin-1-ylacetate

C9H14F3NO2 — CID 59012994

IUPAC2,2,2-trifluoroethyl 2-piperidin-1-ylacetate
SMILESO=C(CN1CCCCC1)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7-15-8(14)6-13-4-2-1-3-5-13/h1-7H2
InChIKeyRWWJLEOUFOXIAG-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.58
Rot. Bonds3

About 2,2,2-trifluoroethyl 2-piperidin-1-ylacetate

2,2,2-trifluoroethyl 2-piperidin-1-ylacetate (PubChem CID 59012994) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-piperidin-1-ylacetate
PubChem CID59012994
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoroethyl 2-piperidin-1-ylacetate
SMILESO=C(CN1CCCCC1)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7-15-8(14)6-13-4-2-1-3-5-13/h1-7H2
InChIKeyRWWJLEOUFOXIAG-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-piperidin-1-ylacetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-piperidin-1-ylacetate (CID 59012994) is 2,2,2-trifluoroethyl 2-piperidin-1-ylacetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-piperidin-1-ylacetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-piperidin-1-ylacetate is O=C(CN1CCCCC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-piperidin-1-ylacetate?
The InChIKey is RWWJLEOUFOXIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)7-15-8(14)6-13-4-2-1-3-5-13/h1-7H2.
What are the key properties of 2,2,2-trifluoroethyl 2-piperidin-1-ylacetate?
2,2,2-trifluoroethyl 2-piperidin-1-ylacetate has a molecular weight of 225.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 59012994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).