(2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate

C9H11F4NO2 — CID 68690501

IUPAC(2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate
SMILESO=C(OCC(F)=C1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H11F4NO2/c10-7(6-1-3-14-4-2-6)5-16-8(15)9(11,12)13/h14H,1-5H2
InChIKeyULXSSGHYJZFVIR-UHFFFAOYSA-N
MW241.18 g/mol
LogP1.70
Rot. Bonds2

About (2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate

(2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate (PubChem CID 68690501) has the molecular formula C9H11F4NO2 and a molecular weight of 241.18 g/mol. Its IUPAC name is (2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate
PubChem CID68690501
Molecular FormulaC9H11F4NO2
Molecular Weight241.18 g/mol
Exact Mass241.07
IUPAC Name(2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate
SMILESO=C(OCC(F)=C1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H11F4NO2/c10-7(6-1-3-14-4-2-6)5-16-8(15)9(11,12)13/h14H,1-5H2
InChIKeyULXSSGHYJZFVIR-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-ylideneethyl 2,2,2-trifluoroacetate
CID 68525261
2-Fluoro-2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68690504
(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-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate (CID 68690501) is (2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate is O=C(OCC(F)=C1CCNCC1)C(F)(F)F.
What is the InChIKey of (2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate?
The InChIKey is ULXSSGHYJZFVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO2/c10-7(6-1-3-14-4-2-6)5-16-8(15)9(11,12)13/h14H,1-5H2.
What are the key properties of (2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate?
(2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate has a molecular weight of 241.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 68690501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).