[(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate

C9H11F4NO2 — CID 68524032

IUPAC[(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate
SMILESO=C(OC/C(F)=C1/CCCNC1)C(F)(F)F
InChIInChI=1S/C9H11F4NO2/c10-7(6-2-1-3-14-4-6)5-16-8(15)9(11,12)13/h14H,1-5H2/b7-6+
InChIKeyRKXYAVUBWOIQHN-VOTSOKGWSA-N
MW241.18 g/mol
LogP1.70
Rot. Bonds2

About [(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate

[(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate (PubChem CID 68524032) has the molecular formula C9H11F4NO2 and a molecular weight of 241.18 g/mol. Its IUPAC name is [(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate
PubChem CID68524032
Molecular FormulaC9H11F4NO2
Molecular Weight241.18 g/mol
Exact Mass241.07
IUPAC Name[(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate
SMILESO=C(OC/C(F)=C1/CCCNC1)C(F)(F)F
InChIInChI=1S/C9H11F4NO2/c10-7(6-2-1-3-14-4-6)5-16-8(15)9(11,12)13/h14H,1-5H2/b7-6+
InChIKeyRKXYAVUBWOIQHN-VOTSOKGWSA-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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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate (CID 68524032) is [(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate is O=C(OC/C(F)=C1/CCCNC1)C(F)(F)F.
What is the InChIKey of [(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate?
The InChIKey is RKXYAVUBWOIQHN-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H11F4NO2/c10-7(6-2-1-3-14-4-6)5-16-8(15)9(11,12)13/h14H,1-5H2/b7-6+.
What are the key properties of [(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate?
[(2E)-2-fluoro-2-piperidin-3-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 [(2E)-2-fluoro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 68524032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).