2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate

C9H12F3NO2 — CID 68525261

IUPAC2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate
SMILESO=C(OCC=C1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)8(14)15-6-3-7-1-4-13-5-2-7/h3,13H,1-2,4-6H2
InChIKeyTXZBYWQRGRQPRU-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.40
Rot. Bonds2

About 2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate

2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate (PubChem CID 68525261) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate
PubChem CID68525261
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate
SMILESO=C(OCC=C1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)8(14)15-6-3-7-1-4-13-5-2-7/h3,13H,1-2,4-6H2
InChIKeyTXZBYWQRGRQPRU-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl2-fluoro-2-(piperidin-4-ylidene)acetatehydrochloride
CID 138040460
2-Piperidin-4-ylidenepropyl 2,2,2-trifluoroacetate
CID 68523342
[(2Z)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate
CID 68524031
[(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate
CID 68524032
[(2Z)-2-chloro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate
CID 68525095
[(2E)-2-chloro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate
CID 68525099
2-Piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68525260
(2-Fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate
CID 68690501
(2-Fluoro-2-piperidin-3-ylideneethyl) 2,2,2-trifluoroacetate
CID 77509216
(2-Chloro-2-piperidin-3-ylideneethyl) 2,2,2-trifluoroacetate
CID 77509370
[(2E)-2-piperidin-3-ylideneacetyl] 2,2,2-trifluoroacetate
CID 87105327
Ethyl 2-fluoro-2-(piperidin-4-ylidene)acetate
CID 89206048

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate (CID 68525261) is 2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate is O=C(OCC=C1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate?
The InChIKey is TXZBYWQRGRQPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)8(14)15-6-3-7-1-4-13-5-2-7/h3,13H,1-2,4-6H2.
What are the key properties of 2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate?
2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate has a molecular weight of 223.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylideneethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 68525261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).